60060452 -OEChem-04262403552D 131138 0 1 0 0 0 0 0999 V2000 9.4697 -0.0391 0.0000 P 0 0 3 0 0 0 0 0 0 0 0 0 6.8909 4.0340 0.0000 P 0 0 3 0 0 0 0 0 0 0 0 0 9.1690 -3.7391 0.0000 P 0 0 3 0 0 0 0 0 0 0 0 0 6.2182 -5.9915 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 10.7568 -2.8161 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.0559 2.9931 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.4478 -0.2470 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.9666 -6.5538 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.4787 3.2250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0298 6.4986 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.6690 -4.6051 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.6776 0.9391 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.5169 -0.9193 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.6690 -2.8731 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5665 5.1091 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3031 4.8430 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.5539 -6.5926 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1330 4.7385 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4608 6.8076 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.5273 -5.0404 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.2618 -1.0172 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.6999 4.6218 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.3030 -4.2391 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.4915 0.1688 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0819 3.4462 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.0351 -3.2391 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.5350 -1.6936 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.5356 5.9439 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9529 8.0863 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.6597 -7.8673 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9092 -6.9426 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1693 -6.3005 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.9440 -4.8582 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.9240 6.6641 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2672 -5.6825 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.5169 -3.0948 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.6945 4.6568 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.9372 -8.0483 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.2208 8.0863 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 14.2395 -3.2759 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.2297 6.3040 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.0868 9.5863 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.9552 -9.4496 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.2208 11.0863 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.2508 -11.0319 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.7568 -1.1980 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 8.4732 3.3295 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 10.1691 -2.0070 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 9.1424 2.5864 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 11.7079 -1.5070 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 8.9732 4.1955 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 11.7079 -2.5070 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 9.9514 3.9876 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 9.1690 -5.4712 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 9.5758 -6.3847 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 8.1745 -5.5757 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 8.8326 -7.0538 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 8.9344 1.6082 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1690 -2.0070 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7208 5.5475 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 3.7208 5.5475 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 3.4118 6.4986 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 4.2208 7.0863 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 5.3086 4.7385 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5054 -4.8325 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4305 -2.6881 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4124 -4.0894 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4866 5.6349 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6456 4.3477 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1282 -8.6361 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0868 8.5863 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3548 8.5863 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8507 -8.4551 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2214 -4.6771 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3887 5.0169 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2208 10.0863 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 3.3548 9.5863 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1349 -4.2704 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1808 5.9950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2327 -9.6307 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1462 -10.0374 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1952 -0.7596 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1356 3.8495 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8876 -2.5595 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6242 2.1962 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6109 -0.8947 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3541 4.2280 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6109 -3.1194 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7909 4.5865 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8314 -4.9512 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7363 -6.9836 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5757 -5.7362 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4115 -7.2760 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3596 1.8405 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6059 1.0824 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2767 -1.3965 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5864 -1.7950 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3332 5.6445 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1085 5.6445 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9734 6.0602 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6684 7.3678 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7514 4.4667 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4795 4.1425 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0312 -4.5040 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2732 -4.2577 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.4521 -0.3027 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9309 5.6107 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9688 -6.1319 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8460 -4.3415 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7745 3.7413 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3852 4.1721 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 6.3927 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5618 -8.3840 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8179 8.2763 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6721 -1.2088 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.8059 -3.0237 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.1566 -5.2938 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1008 6.9105 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9784 4.8253 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6839 10.3963 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6351 5.2384 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7661 -3.9291 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6238 9.8963 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8179 9.8963 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7311 -9.9951 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6839 11.3963 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7578 11.3963 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7492 -11.3963 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8172 -11.2841 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3028 -7.0715 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2982 -6.9070 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 7 1 0 0 0 0 1 12 1 0 0 0 0 1 21 1 0 0 0 0 1 24 2 0 0 0 0 2 9 1 0 0 0 0 2 16 1 0 0 0 0 2 22 1 0 0 0 0 2 25 2 0 0 0 0 3 11 1 0 0 0 0 3 14 1 0 0 0 0 3 23 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 35 2 0 0 0 0 5 48 1 0 0 0 0 5 52 1 0 0 0 0 6 49 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 60 1 0 0 0 0 10 63 1 0 0 0 0 11 54 1 0 0 0 0 12 58 1 0 0 0 0 13 50 1 0 0 0 0 13106 1 0 0 0 0 14 59 1 0 0 0 0 15 51 1 0 0 0 0 15107 1 0 0 0 0 16 64 1 0 0 0 0 17 55 1 0 0 0 0 17108 1 0 0 0 0 18 61 1 0 0 0 0 18111 1 0 0 0 0 19 62 1 0 0 0 0 19112 1 0 0 0 0 20 65 1 0 0 0 0 21115 1 0 0 0 0 22121 1 0 0 0 0 23122 1 0 0 0 0 27 66 2 0 0 0 0 28 68 2 0 0 0 0 29 71 2 0 0 0 0 30 73 2 0 0 0 0 31130 1 0 0 0 0 32131 1 0 0 0 0 33 78 2 0 0 0 0 34 79 2 0 0 0 0 36 52 1 0 0 0 0 36 66 1 0 0 0 0 36 67 1 0 0 0 0 37 53 1 0 0 0 0 37 68 1 0 0 0 0 37 69 1 0 0 0 0 38 57 1 0 0 0 0 38 70 1 0 0 0 0 38 73 1 0 0 0 0 39 63 1 0 0 0 0 39 71 1 0 0 0 0 39 72 1 0 0 0 0 40 66 1 0 0 0 0 40 78 1 0 0 0 0 40116 1 0 0 0 0 41 68 1 0 0 0 0 41 79 1 0 0 0 0 41118 1 0 0 0 0 42 71 1 0 0 0 0 42 76 1 0 0 0 0 42123 1 0 0 0 0 43 73 1 0 0 0 0 43 81 2 0 0 0 0 44 76 1 0 0 0 0 44126 1 0 0 0 0 44127 1 0 0 0 0 45 81 1 0 0 0 0 45128 1 0 0 0 0 45129 1 0 0 0 0 46 48 1 0 0 0 0 46 50 1 0 0 0 0 46 82 1 0 0 0 0 47 49 1 0 0 0 0 47 51 1 0 0 0 0 47 83 1 0 0 0 0 48 59 1 0 0 0 0 48 84 1 0 0 0 0 49 58 1 0 0 0 0 49 85 1 0 0 0 0 50 52 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 65 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 64 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 67 74 2 0 0 0 0 67109 1 0 0 0 0 69 75 2 0 0 0 0 69110 1 0 0 0 0 70 80 2 0 0 0 0 70113 1 0 0 0 0 72 77 2 0 0 0 0 72114 1 0 0 0 0 74 78 1 0 0 0 0 74117 1 0 0 0 0 75 79 1 0 0 0 0 75119 1 0 0 0 0 76 77 1 0 0 0 0 76120 1 0 0 0 0 77124 1 0 0 0 0 80 81 1 0 0 0 0 80125 1 0 0 0 0 M END > 60060452 > 1 > 2840 > 32 > 15 > 22 > AAADcfB//gOAAAAAAAAAAAAAAAAAASJEiQAgQIEAAAAAAAAAAAAAHgAQCCAACBThgAYBAAPABxCoQCN2dICAAAEAAgAIAIAYAFCDEAIAgQAOQAAPFyITAMDwMAIAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA== > [3-[[3-[[5-(6-amino-2-oxo-1,6-dihydropyrimidin-3-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl]oxy-5-(2,4-dioxopyrimidin-1-yl)-4-hydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl]oxy-5-(2,4-dioxopyrimidin-1-yl)-4-hydroxy-tetrahydrofuran-2-yl]methyl [5-(4-amino-2-oxo-pyrimidin-1-yl)-4-hydroxy-2-(phosphonooxymethyl)tetrahydrofuran-3-yl] hydrogen phosphate > [3-[[3-[[5-(6-amino-2-oxo-1,6-dihydropyrimidin-3-yl)-3,4-dihydroxy-2-oxolanyl]methoxy-hydroxyphosphoryl]oxy-5-(2,4-dioxo-1-pyrimidinyl)-4-hydroxy-2-oxolanyl]methoxy-hydroxyphosphoryl]oxy-5-(2,4-dioxo-1-pyrimidinyl)-4-hydroxy-2-oxolanyl]methyl [5-(4-amino-2-oxo-1-pyrimidinyl)-4-hydroxy-2-(phosphonooxymethyl)-3-oxolanyl] hydrogen phosphate > [3-[[3-[[5-(6-amino-2-oxo-1,6-dihydropyrimidin-3-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-5-(2,4-dioxopyrimidin-1-yl)-4-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-5-(2,4-dioxopyrimidin-1-yl)-4-hydroxyoxolan-2-yl]methyl [5-(4-amino-2-oxopyrimidin-1-yl)-4-hydroxy-2-(phosphonooxymethyl)oxolan-3-yl] hydrogen phosphate > [3-[[3-[[5-(6-amino-2-oxo-1,6-dihydropyrimidin-3-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-5-(2,4-dioxopyrimidin-1-yl)-4-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-5-(2,4-dioxopyrimidin-1-yl)-4-hydroxyoxolan-2-yl]methyl [5-(4-amino-2-oxopyrimidin-1-yl)-4-hydroxy-2-(phosphonooxymethyl)oxolan-3-yl] hydrogen phosphate > [3-[[3-[[5-(6-azanyl-2-oxidanylidene-1,6-dihydropyrimidin-3-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-5-[2,4-bis(oxidanylidene)pyrimidin-1-yl]-4-oxidanyl-oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-5-[2,4-bis(oxidanylidene)pyrimidin-1-yl]-4-oxidanyl-oxolan-2-yl]methyl [5-(4-azanyl-2-oxidanylidene-pyrimidin-1-yl)-4-oxidanyl-2-(phosphonooxymethyl)oxolan-3-yl] hydrogen phosphate > [3-[[3-[[5-(6-amino-2-keto-1,6-dihydropyrimidin-3-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl]oxy-5-(2,4-diketopyrimidin-1-yl)-4-hydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl]oxy-5-(2,4-diketopyrimidin-1-yl)-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/C36H50N10O31P4/c37-17-1-5-43(33(54)39-17)29-22(50)21(49)13(71-29)9-68-79(61,62)76-27-15(73-31(24(27)52)45-7-3-19(47)41-35(45)56)11-70-81(65,66)77-28-16(74-32(25(28)53)46-8-4-20(48)42-36(46)57)12-69-80(63,64)75-26-14(10-67-78(58,59)60)72-30(23(26)51)44-6-2-18(38)40-34(44)55/h1-8,13-17,21-32,49-53H,9-12,37H2,(H,39,54)(H,61,62)(H,63,64)(H,65,66)(H2,38,40,55)(H,41,47,56)(H,42,48,57)(H2,58,59,60) > DLXFCCJFLGRCJZ-UHFFFAOYSA-N > -15.9 > 1242.1593928 > C36H50N10O31P4 > 1242.7 > C1=CN(C(=O)NC1N)C2C(C(C(O2)COP(=O)(O)OC3C(OC(C3O)N4C=CC(=O)NC4=O)COP(=O)(O)OC5C(OC(C5O)N6C=CC(=O)NC6=O)COP(=O)(O)OC7C(OC(C7O)N8C=CC(=NC8=O)N)COP(=O)(O)O)O)O > C1=CN(C(=O)NC1N)C2C(C(C(O2)COP(=O)(O)OC3C(OC(C3O)N4C=CC(=O)NC4=O)COP(=O)(O)OC5C(OC(C5O)N6C=CC(=O)NC6=O)COP(=O)(O)OC7C(OC(C7O)N8C=CC(=NC8=O)N)COP(=O)(O)O)O)O > 588 > 1242.1593928 > 0 > 81 > 0 > 17 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 54 11 3 50 13 3 51 15 3 55 17 3 61 18 3 62 19 3 52 36 3 36 66 8 36 67 8 53 37 3 37 68 8 37 69 8 57 38 3 38 70 8 38 73 8 63 39 3 40 66 8 40 78 8 41 68 8 41 79 8 43 73 8 43 81 8 76 44 3 48 59 3 49 58 3 56 65 3 60 64 3 67 74 8 69 75 8 46 7 3 70 80 8 74 78 8 75 79 8 80 81 8 47 9 3 $$$$