444086 -OEChem-04192406022D 122129 0 1 0 0 0 0 0999 V2000 10.1605 -2.9293 0.0000 P 0 0 3 0 0 0 0 0 0 0 0 0 6.9027 -0.9407 0.0000 P 0 0 3 0 0 0 0 0 0 0 0 0 14.9129 -3.7384 0.0000 P 0 0 3 0 0 0 0 0 0 0 0 0 13.0519 -1.2738 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.9146 -4.2724 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.1551 -3.0339 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.4904 -1.7497 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.0779 -4.7792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.1660 -2.8248 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4428 2.5419 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.5007 -4.5474 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.3252 -2.9293 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3149 -0.1317 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5460 0.7819 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.0560 -3.9239 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.6996 -6.8333 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.2651 -1.9348 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7117 -0.3529 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.7220 -3.1506 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0936 -1.5285 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.1039 -4.3261 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.9749 0.3140 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -2.8657 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.8755 -4.4028 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9018 4.1297 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.2428 0.3140 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -4.3657 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 18.7165 -3.1156 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.6338 4.1297 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 13.1089 1.8140 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -4.3657 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 20.4107 -2.7555 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.7678 5.6297 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.2428 3.3140 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 -5.8657 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 20.9460 -1.1082 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.6338 7.1297 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.7428 -2.2248 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.0837 -2.6633 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.7428 -2.2248 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.5837 -3.5293 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.4338 -1.2738 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1056 -2.8712 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2428 -0.6860 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.0010 -3.8657 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.4952 -4.4428 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 17.1644 -5.1860 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.9952 -3.5768 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5782 -3.6338 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3306 -3.0339 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.9734 -3.7847 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.1338 1.5909 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.1338 1.5909 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.8248 2.5419 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6338 3.1297 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.7216 0.7819 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.9565 -6.1641 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3768 0.8140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -5.3657 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1089 0.8140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -3.8657 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.5086 -2.1374 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.6676 -3.4246 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4999 4.6297 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3768 1.8140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -5.8657 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7678 4.6297 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2428 2.3140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -5.3657 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.2518 -1.4683 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4999 5.6297 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.2028 -1.7773 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6338 6.1297 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1305 -2.1279 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7029 -2.6308 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.3552 -2.1279 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8059 -4.1081 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1238 -0.7369 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8674 -1.5260 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0408 -2.2546 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4856 -2.8712 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7953 -0.4045 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4811 -3.5280 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.1576 -3.9229 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.6462 -5.5762 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.1868 -2.9872 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.4289 -3.3246 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4073 -4.2298 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1355 -3.9056 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7734 -3.3056 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.5015 -3.6298 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.5522 -4.0069 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7462 1.6879 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4153 1.0385 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5148 3.0789 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2584 2.2898 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1862 3.4112 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2356 0.4352 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1523 1.2279 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.3816 -5.9319 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.6279 -6.6899 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8399 0.5040 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6720 -5.6757 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9294 0.8467 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.9190 -1.9459 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5576 -4.2883 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0368 4.3197 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8399 2.1240 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -6.4857 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.5707 -7.4397 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6469 0.2637 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.6572 -2.5340 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.1229 -0.8619 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0368 5.9397 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7059 3.6240 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7798 3.6240 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 -6.4857 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -5.5557 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21.5356 -1.2998 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 20.8171 -0.5018 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0969 7.4397 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1708 7.4397 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 6 1 0 0 0 0 1 9 1 0 0 0 0 1 15 1 0 0 0 0 1 17 2 0 0 0 0 2 7 1 0 0 0 0 2 13 1 0 0 0 0 2 18 1 0 0 0 0 2 20 2 0 0 0 0 3 11 1 0 0 0 0 3 12 1 0 0 0 0 3 19 1 0 0 0 0 3 21 2 0 0 0 0 4 40 1 0 0 0 0 4 44 1 0 0 0 0 5 41 1 0 0 0 0 5 45 1 0 0 0 0 38 6 1 1 0 0 0 39 7 1 6 0 0 0 8 47 1 0 0 0 0 8 51 1 0 0 0 0 9 49 1 0 0 0 0 10 52 1 0 0 0 0 10 55 1 0 0 0 0 46 11 1 1 0 0 0 12 50 1 0 0 0 0 13 56 1 0 0 0 0 53 14 1 1 0 0 0 14104 1 0 0 0 0 15106 1 0 0 0 0 16 57 1 0 0 0 0 16110 1 0 0 0 0 18111 1 0 0 0 0 19112 1 0 0 0 0 22 60 2 0 0 0 0 23 61 2 0 0 0 0 24 63 2 0 0 0 0 25 67 2 0 0 0 0 44 26 1 6 0 0 0 26 58 1 0 0 0 0 26 60 1 0 0 0 0 45 27 1 1 0 0 0 27 59 1 0 0 0 0 27 61 1 0 0 0 0 51 28 1 6 0 0 0 28 62 1 0 0 0 0 28 63 1 0 0 0 0 55 29 1 6 0 0 0 29 64 1 0 0 0 0 29 67 1 0 0 0 0 30 60 1 0 0 0 0 30 68 2 0 0 0 0 31 61 1 0 0 0 0 31 69 2 0 0 0 0 32 63 1 0 0 0 0 32 72 2 0 0 0 0 33 67 1 0 0 0 0 33 73 2 0 0 0 0 34 68 1 0 0 0 0 34115 1 0 0 0 0 34116 1 0 0 0 0 35 69 1 0 0 0 0 35117 1 0 0 0 0 35118 1 0 0 0 0 36 72 1 0 0 0 0 36119 1 0 0 0 0 36120 1 0 0 0 0 37 73 1 0 0 0 0 37121 1 0 0 0 0 37122 1 0 0 0 0 38 40 1 0 0 0 0 38 42 1 0 0 0 0 38 74 1 0 0 0 0 39 41 1 0 0 0 0 39 43 1 0 0 0 0 39 75 1 0 0 0 0 40 50 1 6 0 0 0 40 76 1 0 0 0 0 41 49 1 1 0 0 0 41 77 1 0 0 0 0 42 44 1 0 0 0 0 42 78 1 0 0 0 0 42 79 1 0 0 0 0 43 45 1 0 0 0 0 43 80 1 0 0 0 0 43 81 1 0 0 0 0 44 82 1 0 0 0 0 45 83 1 0 0 0 0 46 47 1 0 0 0 0 46 48 1 0 0 0 0 46 84 1 0 0 0 0 47 57 1 6 0 0 0 47 85 1 0 0 0 0 48 51 1 0 0 0 0 48 86 1 0 0 0 0 48 87 1 0 0 0 0 49 88 1 0 0 0 0 49 89 1 0 0 0 0 50 90 1 0 0 0 0 50 91 1 0 0 0 0 51 92 1 0 0 0 0 52 53 1 0 0 0 0 52 56 1 6 0 0 0 52 93 1 0 0 0 0 53 54 1 0 0 0 0 53 94 1 0 0 0 0 54 55 1 0 0 0 0 54 95 1 0 0 0 0 54 96 1 0 0 0 0 55 97 1 0 0 0 0 56 98 1 0 0 0 0 56 99 1 0 0 0 0 57100 1 0 0 0 0 57101 1 0 0 0 0 58 65 2 0 0 0 0 58102 1 0 0 0 0 59 66 2 0 0 0 0 59103 1 0 0 0 0 62 70 2 0 0 0 0 62105 1 0 0 0 0 64 71 2 0 0 0 0 64107 1 0 0 0 0 65 68 1 0 0 0 0 65108 1 0 0 0 0 66 69 1 0 0 0 0 66109 1 0 0 0 0 70 72 1 0 0 0 0 70113 1 0 0 0 0 71 73 1 0 0 0 0 71114 1 0 0 0 0 M END > 444086 > 1 > 2600 > 22 > 9 > 20 > AAADcfB//gMAAAAAAAAAAAAAAAAAASJEiQAgQIEAAAAAAAAAAAAAHgAQCCAACBThgAYBAANABxCoQCJmdICAAAEAAgAIAAAYABCBEAIAgAAOQAAHFgIDAACwMAIAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA== > [(2R,3S,5R)-5-(4-amino-2-oxo-pyrimidin-1-yl)-2-[[[(2R,3S,5R)-5-(4-amino-2-oxo-pyrimidin-1-yl)-2-[[[(2R,3S,5R)-5-(4-amino-2-oxo-pyrimidin-1-yl)-2-(hydroxymethyl)tetrahydrofuran-3-yl]oxy-hydroxy-phosphoryl]oxymethyl]tetrahydrofuran-3-yl]oxy-hydroxy-phosphoryl]oxymethyl]tetrahydrofuran-3-yl] [(2R,3S,5R)-5-(4-amino-2-oxo-pyrimidin-1-yl)-3-hydroxy-tetrahydrofuran-2-yl]methyl hydrogen phosphate > [(2R,3S,5R)-5-(4-amino-2-oxo-1-pyrimidinyl)-2-[[[(2R,3S,5R)-5-(4-amino-2-oxo-1-pyrimidinyl)-2-[[[(2R,3S,5R)-5-(4-amino-2-oxo-1-pyrimidinyl)-2-(hydroxymethyl)-3-oxolanyl]oxy-hydroxyphosphoryl]oxymethyl]-3-oxolanyl]oxy-hydroxyphosphoryl]oxymethyl]-3-oxolanyl] [(2R,3S,5R)-5-(4-amino-2-oxo-1-pyrimidinyl)-3-hydroxy-2-oxolanyl]methyl hydrogen phosphate > [(2R,3S,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-2-[[[(2R,3S,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-2-[[[(2R,3S,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-2-(hydroxymethyl)oxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]oxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]oxolan-3-yl] [(2R,3S,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-3-hydroxyoxolan-2-yl]methyl hydrogen phosphate > [(2R,3S,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-2-[[[(2R,3S,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-2-[[[(2R,3S,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-2-(hydroxymethyl)oxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]oxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]oxolan-3-yl] [(2R,3S,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-3-hydroxyoxolan-2-yl]methyl hydrogen phosphate > [(2R,3S,5R)-5-(4-azanyl-2-oxidanylidene-pyrimidin-1-yl)-2-[[[(2R,3S,5R)-5-(4-azanyl-2-oxidanylidene-pyrimidin-1-yl)-2-[[[(2R,3S,5R)-5-(4-azanyl-2-oxidanylidene-pyrimidin-1-yl)-2-(hydroxymethyl)oxolan-3-yl]oxy-oxidanyl-phosphoryl]oxymethyl]oxolan-3-yl]oxy-oxidanyl-phosphoryl]oxymethyl]oxolan-3-yl] [(2R,3S,5R)-5-(4-azanyl-2-oxidanylidene-pyrimidin-1-yl)-3-oxidanyl-oxolan-2-yl]methyl hydrogen phosphate > [(2R,3S,5R)-5-(4-amino-2-keto-pyrimidin-1-yl)-3-[[(2R,3S,5R)-5-(4-amino-2-keto-pyrimidin-1-yl)-3-[[(2R,3S,5R)-5-(4-amino-2-keto-pyrimidin-1-yl)-3-hydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl]oxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl]oxy-tetrahydrofuran-2-yl]methyl [(2R,3S,5R)-5-(4-amino-2-keto-pyrimidin-1-yl)-2-methylol-tetrahydrofuran-3-yl] hydrogen phosphate > InChI=1S/C36H49N12O22P3/c37-25-1-5-45(33(51)41-25)29-9-17(50)22(65-29)14-61-71(55,56)69-19-11-31(47-7-3-27(39)43-35(47)53)67-24(19)16-63-73(59,60)70-20-12-32(48-8-4-28(40)44-36(48)54)66-23(20)15-62-72(57,58)68-18-10-30(64-21(18)13-49)46-6-2-26(38)42-34(46)52/h1-8,17-24,29-32,49-50H,9-16H2,(H,55,56)(H,57,58)(H,59,60)(H2,37,41,51)(H2,38,42,52)(H2,39,43,53)(H2,40,44,54)/t17-,18-,19-,20-,21+,22+,23+,24+,29+,30+,31+,32+/m0/s1 > KGXREUXBAUBPEU-GKKAMGBHSA-N > -9.1 > 1094.22972223 > C36H49N12O22P3 > 1094.8 > C1C(C(OC1N2C=CC(=NC2=O)N)COP(=O)(O)OC3CC(OC3COP(=O)(O)OC4CC(OC4COP(=O)(O)OC5CC(OC5CO)N6C=CC(=NC6=O)N)N7C=CC(=NC7=O)N)N8C=CC(=NC8=O)N)O > C1[C@@H]([C@H](O[C@H]1N2C=CC(=NC2=O)N)COP(=O)(O)O[C@H]3C[C@@H](O[C@@H]3COP(=O)(O)O[C@H]4C[C@@H](O[C@@H]4COP(=O)(O)O[C@H]5C[C@@H](O[C@@H]5CO)N6C=CC(=NC6=O)N)N7C=CC(=NC7=O)N)N8C=CC(=NC8=O)N)O > 479 > 1094.22972223 > 0 > 73 > 12 > 0 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 46 11 5 53 14 5 44 26 6 26 58 8 26 60 8 45 27 5 27 59 8 27 61 8 51 28 6 28 62 8 28 63 8 55 29 6 29 64 8 29 67 8 30 60 8 30 68 8 31 61 8 31 69 8 32 63 8 32 72 8 33 67 8 33 73 8 40 50 6 41 49 5 47 57 6 52 56 6 58 65 8 59 66 8 38 6 5 62 70 8 64 71 8 65 68 8 66 69 8 39 7 6 70 72 8 71 73 8 $$$$