11979661 -OEChem-04262410132D 131138 0 1 0 0 0 0 0999 V2000 13.3751 -0.1391 0.0000 P 0 0 3 0 0 0 0 0 0 0 0 0 8.6227 -0.9481 0.0000 P 0 0 3 0 0 0 0 0 0 0 0 0 16.6330 1.8495 0.0000 P 0 0 3 0 0 0 0 0 0 0 0 0 6.0439 -5.0212 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 10.4838 1.5164 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.6210 -1.4822 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.3806 -0.2437 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4577 -1.9890 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.0452 1.0405 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0349 -1.7572 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.3696 -0.0346 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.8031 3.3630 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.0529 1.8254 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.2105 -0.1391 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.1732 0.5882 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.9471 0.1269 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.2208 2.6585 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.5430 4.6231 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.3031 5.9018 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8360 -4.0430 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.4796 -1.1336 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.8137 -0.3604 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.2706 0.8554 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.8239 2.4373 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.4317 -1.5359 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.4420 1.2617 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.0248 3.1042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.2666 -0.0755 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9781 0.9618 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.5984 2.9758 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2518 -5.9994 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0658 -5.2291 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.0221 -4.8133 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.2928 3.1042 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 18.4006 -1.5755 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.8191 -0.3254 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 21.0631 4.6231 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.1588 4.6042 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 20.1327 -1.5755 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.2839 1.3219 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 22.7573 4.2630 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.2928 6.1042 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 20.9987 -3.0755 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.5896 1.6820 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 23.9163 5.5501 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.7928 0.5654 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 16.4519 0.1269 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 10.7928 0.5654 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 12.1018 1.5164 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 15.9519 -0.7391 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 17.4301 -0.0810 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 11.2928 2.1042 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 17.5346 -1.0755 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 7.0404 -1.6526 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 6.5404 -0.7866 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 6.3712 -2.3958 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 5.5622 -0.9945 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 10.2050 -0.2437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9574 -0.8436 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.8031 3.3630 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 18.4940 4.3141 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 19.3031 4.9018 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 20.1121 4.3141 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 6.5792 -3.3739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.2153 2.5540 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4268 3.6042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.4006 -2.5755 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1588 3.6042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.2666 -1.0755 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8680 -0.6344 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0270 0.6528 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4268 4.6042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.2710 5.6012 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.2666 -3.0755 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.8063 3.9540 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1249 0.0347 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2928 5.1042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.1327 -2.5755 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3328 1.0129 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.2221 5.9102 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.9652 5.2411 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4051 0.6624 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.8328 0.1594 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1804 0.6624 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1988 2.1288 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.7297 -1.3179 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.2696 0.5179 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8452 2.3857 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.5021 -1.6946 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2626 -2.2314 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1502 -0.3048 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8894 -2.7860 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7227 -0.3956 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0341 -0.8396 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7622 -0.5154 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.4001 -1.1154 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.1283 -1.4396 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.0845 2.8106 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.0556 3.8757 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.8555 5.1833 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 20.5505 3.8757 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9077 -3.8997 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1540 -3.1417 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.0444 1.9580 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.7725 2.2822 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.5136 1.4106 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.0443 1.1946 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5827 0.6285 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8898 3.2942 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.8637 -2.8855 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7391 -1.2408 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.4141 5.2295 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.8400 6.2118 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9780 -1.4981 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8898 4.9142 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 20.8103 6.0161 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.2666 -3.6955 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8785 0.2562 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.8888 3.0539 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5352 -0.1569 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 22.3510 6.5167 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7558 6.4142 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8297 6.4142 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 20.9987 -3.6955 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21.5356 -2.7655 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 1.4904 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7186 2.2885 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7911 -6.4142 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6509 -4.7684 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 24.3771 5.1353 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 24.0452 6.1566 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 7 1 0 0 0 0 1 11 1 0 0 0 0 1 21 1 0 0 0 0 1 23 2 0 0 0 0 2 10 1 0 0 0 0 2 14 1 0 0 0 0 2 22 1 0 0 0 0 2 25 2 0 0 0 0 3 9 1 0 0 0 0 3 17 1 0 0 0 0 3 24 1 0 0 0 0 3 26 2 0 0 0 0 4 20 1 0 0 0 0 4 31 1 0 0 0 0 4 32 1 0 0 0 0 4 33 2 0 0 0 0 5 48 1 0 0 0 0 5 52 1 0 0 0 0 6 50 1 0 0 0 0 6 53 1 0 0 0 0 7 46 1 0 0 0 0 8 56 1 0 0 0 0 8 57 1 0 0 0 0 9 47 1 0 0 0 0 10 54 1 0 0 0 0 11 59 1 0 0 0 0 12 60 1 0 0 0 0 12 63 1 0 0 0 0 13 49 1 0 0 0 0 13106 1 0 0 0 0 14 58 1 0 0 0 0 15 51 1 0 0 0 0 15107 1 0 0 0 0 16 55 1 0 0 0 0 16108 1 0 0 0 0 17 65 1 0 0 0 0 18 61 1 0 0 0 0 18112 1 0 0 0 0 19 62 1 0 0 0 0 19113 1 0 0 0 0 20 64 1 0 0 0 0 21114 1 0 0 0 0 22118 1 0 0 0 0 24119 1 0 0 0 0 27 68 2 0 0 0 0 28 69 2 0 0 0 0 29 71 2 0 0 0 0 30 75 2 0 0 0 0 31128 1 0 0 0 0 32129 1 0 0 0 0 34 52 1 0 0 0 0 34 66 1 0 0 0 0 34 68 1 0 0 0 0 35 53 1 0 0 0 0 35 67 1 0 0 0 0 35 69 1 0 0 0 0 36 57 1 0 0 0 0 36 70 1 0 0 0 0 36 71 1 0 0 0 0 37 63 1 0 0 0 0 37 73 1 0 0 0 0 37 75 1 0 0 0 0 38 68 1 0 0 0 0 38 77 2 0 0 0 0 39 69 1 0 0 0 0 39 78 2 0 0 0 0 40 71 1 0 0 0 0 40 79 2 0 0 0 0 41 75 1 0 0 0 0 41 81 2 0 0 0 0 42 77 1 0 0 0 0 42122 1 0 0 0 0 42123 1 0 0 0 0 43 78 1 0 0 0 0 43124 1 0 0 0 0 43125 1 0 0 0 0 44 79 1 0 0 0 0 44126 1 0 0 0 0 44127 1 0 0 0 0 45 81 1 0 0 0 0 45130 1 0 0 0 0 45131 1 0 0 0 0 46 48 1 0 0 0 0 46 49 1 0 0 0 0 46 82 1 0 0 0 0 47 50 1 0 0 0 0 47 51 1 0 0 0 0 47 83 1 0 0 0 0 48 58 1 0 0 0 0 48 84 1 0 0 0 0 49 52 1 0 0 0 0 49 85 1 0 0 0 0 50 59 1 0 0 0 0 50 86 1 0 0 0 0 51 53 1 0 0 0 0 51 87 1 0 0 0 0 52 88 1 0 0 0 0 53 89 1 0 0 0 0 54 55 1 0 0 0 0 54 56 1 0 0 0 0 54 90 1 0 0 0 0 55 57 1 0 0 0 0 55 91 1 0 0 0 0 56 64 1 0 0 0 0 56 92 1 0 0 0 0 57 93 1 0 0 0 0 58 94 1 0 0 0 0 58 95 1 0 0 0 0 59 96 1 0 0 0 0 59 97 1 0 0 0 0 60 61 1 0 0 0 0 60 65 1 0 0 0 0 60 98 1 0 0 0 0 61 62 1 0 0 0 0 61 99 1 0 0 0 0 62 63 1 0 0 0 0 62100 1 0 0 0 0 63101 1 0 0 0 0 64102 1 0 0 0 0 64103 1 0 0 0 0 65104 1 0 0 0 0 65105 1 0 0 0 0 66 72 2 0 0 0 0 66109 1 0 0 0 0 67 74 2 0 0 0 0 67110 1 0 0 0 0 70 76 2 0 0 0 0 70111 1 0 0 0 0 72 77 1 0 0 0 0 72115 1 0 0 0 0 73 80 2 0 0 0 0 73116 1 0 0 0 0 74 78 1 0 0 0 0 74117 1 0 0 0 0 76 79 1 0 0 0 0 76120 1 0 0 0 0 80 81 1 0 0 0 0 80121 1 0 0 0 0 M END > 11979661 > 1 > 2940 > 29 > 14 > 22 > AAADcfB//gOAAAAAAAAAAAAAAAAAASJEiQAgQIEAAAAAAAAAAAAAHgAQCCAACBThgAYBAANABxCoQCJmdICAAAEAAgAIAAAYABCDEAIAgAAOQAAHFgITAADwMAIAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA== > [5-(4-amino-2-oxo-pyrimidin-1-yl)-3-[[5-(4-amino-2-oxo-pyrimidin-1-yl)-3-[[5-(4-amino-2-oxo-pyrimidin-1-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl]oxy-4-hydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl]oxy-4-hydroxy-tetrahydrofuran-2-yl]methyl [5-(4-amino-2-oxo-pyrimidin-1-yl)-4-hydroxy-2-(phosphonooxymethyl)tetrahydrofuran-3-yl] hydrogen phosphate > [5-(4-amino-2-oxo-1-pyrimidinyl)-3-[[5-(4-amino-2-oxo-1-pyrimidinyl)-3-[[5-(4-amino-2-oxo-1-pyrimidinyl)-3,4-dihydroxy-2-oxolanyl]methoxy-hydroxyphosphoryl]oxy-4-hydroxy-2-oxolanyl]methoxy-hydroxyphosphoryl]oxy-4-hydroxy-2-oxolanyl]methyl [5-(4-amino-2-oxo-1-pyrimidinyl)-4-hydroxy-2-(phosphonooxymethyl)-3-oxolanyl] hydrogen phosphate > [5-(4-amino-2-oxopyrimidin-1-yl)-3-[[5-(4-amino-2-oxopyrimidin-1-yl)-3-[[5-(4-amino-2-oxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-4-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-4-hydroxyoxolan-2-yl]methyl [5-(4-amino-2-oxopyrimidin-1-yl)-4-hydroxy-2-(phosphonooxymethyl)oxolan-3-yl] hydrogen phosphate > [5-(4-amino-2-oxopyrimidin-1-yl)-3-[[5-(4-amino-2-oxopyrimidin-1-yl)-3-[[5-(4-amino-2-oxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-4-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-4-hydroxyoxolan-2-yl]methyl [5-(4-amino-2-oxopyrimidin-1-yl)-4-hydroxy-2-(phosphonooxymethyl)oxolan-3-yl] hydrogen phosphate > [5-(4-azanyl-2-oxidanylidene-pyrimidin-1-yl)-3-[[5-(4-azanyl-2-oxidanylidene-pyrimidin-1-yl)-3-[[5-(4-azanyl-2-oxidanylidene-pyrimidin-1-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-4-oxidanyl-oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-4-oxidanyl-oxolan-2-yl]methyl [5-(4-azanyl-2-oxidanylidene-pyrimidin-1-yl)-4-oxidanyl-2-(phosphonooxymethyl)oxolan-3-yl] hydrogen phosphate > [5-(4-amino-2-keto-pyrimidin-1-yl)-3-[[5-(4-amino-2-keto-pyrimidin-1-yl)-3-[[5-(4-amino-2-keto-pyrimidin-1-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl]oxy-4-hydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl]oxy-4-hydroxy-tetrahydrofuran-2-yl]methyl [5-(4-amino-2-keto-pyrimidin-1-yl)-4-hydroxy-2-(phosphonooxymethyl)tetrahydrofuran-3-yl] hydrogen phosphate > InChI=1S/C36H50N12O29P4/c37-17-1-5-45(33(54)41-17)29-22(50)21(49)13(71-29)9-68-79(61,62)76-27-15(73-31(24(27)52)47-7-3-19(39)43-35(47)56)11-70-81(65,66)77-28-16(74-32(25(28)53)48-8-4-20(40)44-36(48)57)12-69-80(63,64)75-26-14(10-67-78(58,59)60)72-30(23(26)51)46-6-2-18(38)42-34(46)55/h1-8,13-16,21-32,49-53H,9-12H2,(H,61,62)(H,63,64)(H,65,66)(H2,37,41,54)(H2,38,42,55)(H2,39,43,56)(H2,40,44,57)(H2,58,59,60) > QXBYJCRMAJMWDA-UHFFFAOYSA-N > -14.1 > 1238.1757116 > C36H50N12O29P4 > 1238.7 > C1=CN(C(=O)N=C1N)C2C(C(C(O2)COP(=O)(O)OC3C(OC(C3O)N4C=CC(=NC4=O)N)COP(=O)(O)OC5C(OC(C5O)N6C=CC(=NC6=O)N)COP(=O)(O)OC7C(OC(C7O)N8C=CC(=NC8=O)N)COP(=O)(O)O)O)O > C1=CN(C(=O)N=C1N)C2C(C(C(O2)COP(=O)(O)OC3C(OC(C3O)N4C=CC(=NC4=O)N)COP(=O)(O)OC5C(OC(C5O)N6C=CC(=NC6=O)N)COP(=O)(O)OC7C(OC(C7O)N8C=CC(=NC8=O)N)COP(=O)(O)O)O)O > 607 > 1238.1757116 > 0 > 81 > 0 > 16 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 54 10 3 49 13 3 51 15 3 55 16 3 61 18 3 62 19 3 52 34 3 34 66 8 34 68 8 53 35 3 35 67 8 35 69 8 57 36 3 36 70 8 36 71 8 63 37 3 37 73 8 37 75 8 38 68 8 38 77 8 39 69 8 39 78 8 40 71 8 40 79 8 41 75 8 41 81 8 48 58 3 50 59 3 56 64 3 60 65 3 66 72 8 67 74 8 46 7 3 70 76 8 72 77 8 73 80 8 74 78 8 76 79 8 80 81 8 47 9 3 $$$$