5459393 -OEChem-03292401492D 101106 0 1 0 0 0 0 0999 V2000 4.6989 -0.4014 0.0000 P 0 0 3 0 0 0 0 0 0 0 0 0 8.0500 -0.1924 0.0000 P 0 0 3 0 0 0 0 0 0 0 0 0 3.0233 -4.9216 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 9.9067 2.6053 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 6.1890 2.2722 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.1105 -0.2387 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9028 -3.2454 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2922 0.5121 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.6378 -1.0014 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.4623 0.6166 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6199 2.5812 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4301 -4.0081 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1056 -1.3150 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.0936 -2.6182 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8858 -5.6249 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.3134 1.6917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7854 -0.8082 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.8591 0.3954 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6125 0.0053 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2410 -0.7802 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1120 3.8600 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6166 -5.8352 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1098 -4.5149 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.2150 -3.2333 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0073 -6.2400 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9369 -5.3284 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.8202 3.0120 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.4999 3.5188 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3800 6.8600 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9931 2.1985 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.6791 -3.2333 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.4714 -6.2400 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3800 3.8600 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.0811 -1.7333 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.8733 -4.7400 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.2460 5.3600 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.9471 -3.2333 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.7393 -6.2400 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.8800 1.3211 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.8800 1.3211 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.5709 2.2722 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.3800 2.8600 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.6324 -0.8969 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.4246 -3.9036 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.3015 -1.6400 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.9246 -3.0375 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.1324 -0.0308 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.0937 -4.6467 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.2150 -1.2333 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.0073 -4.2400 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.4677 0.5121 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5179 -2.1240 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7256 0.8827 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2460 4.3600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5139 4.3600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0811 -2.7333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9471 -1.2333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8733 -5.7400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7393 -4.2400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5139 5.3600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8131 -1.7333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6054 -4.7400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3800 5.8600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8131 -2.7333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6054 -5.7400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2676 1.4181 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4923 1.4181 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4740 2.8846 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8275 3.1414 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4102 -1.4757 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0869 -3.3836 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7833 -2.0302 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3148 -2.5557 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5225 0.4510 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5756 -5.0369 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1826 -1.8524 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9748 -4.8591 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9105 0.2403 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6386 -0.0839 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0872 -1.6780 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0039 -2.4707 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2949 1.3287 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2116 0.5360 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1591 2.1663 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5039 -2.8098 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2962 -5.8164 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9770 4.0500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9471 -0.6133 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7393 -3.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7829 5.6700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9770 5.6700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2838 -0.4437 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7943 1.0120 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9471 -3.8533 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.3500 -1.4233 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7393 -6.8600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1423 -4.4300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -5.9000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0450 -3.8983 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8850 3.6286 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8644 4.0204 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 8 1 0 0 0 0 1 13 1 0 0 0 0 1 17 1 0 0 0 0 1 19 2 0 0 0 0 2 9 1 0 0 0 0 2 10 1 0 0 0 0 2 18 1 0 0 0 0 2 20 2 0 0 0 0 3 12 1 0 0 0 0 3 22 1 0 0 0 0 3 23 1 0 0 0 0 3 26 2 0 0 0 0 4 16 1 0 0 0 0 4 27 1 0 0 0 0 4 28 1 0 0 0 0 4 30 2 0 0 0 0 5 40 1 0 0 0 0 5 42 1 0 0 0 0 6 47 1 0 0 0 0 6 49 1 0 0 0 0 7 46 1 0 0 0 0 7 50 1 0 0 0 0 39 8 1 1 0 0 0 43 9 1 6 0 0 0 10 51 1 0 0 0 0 41 11 1 1 0 0 0 11 84 1 0 0 0 0 44 12 1 6 0 0 0 13 52 1 0 0 0 0 45 14 1 6 0 0 0 14 85 1 0 0 0 0 48 15 1 6 0 0 0 15 86 1 0 0 0 0 16 53 1 0 0 0 0 17 92 1 0 0 0 0 18 93 1 0 0 0 0 21 54 2 0 0 0 0 22 98 1 0 0 0 0 23 99 1 0 0 0 0 24 56 2 0 0 0 0 25 58 2 0 0 0 0 27100 1 0 0 0 0 28101 1 0 0 0 0 29 63 2 0 0 0 0 31 64 2 0 0 0 0 32 65 2 0 0 0 0 42 33 1 6 0 0 0 33 54 1 0 0 0 0 33 55 1 0 0 0 0 49 34 1 1 0 0 0 34 56 1 0 0 0 0 34 57 1 0 0 0 0 50 35 1 1 0 0 0 35 58 1 0 0 0 0 35 59 1 0 0 0 0 36 54 1 0 0 0 0 36 63 1 0 0 0 0 36 90 1 0 0 0 0 37 56 1 0 0 0 0 37 64 1 0 0 0 0 37 94 1 0 0 0 0 38 58 1 0 0 0 0 38 65 1 0 0 0 0 38 96 1 0 0 0 0 39 40 1 0 0 0 0 39 41 1 0 0 0 0 39 66 1 0 0 0 0 40 51 1 6 0 0 0 40 67 1 0 0 0 0 41 42 1 0 0 0 0 41 68 1 0 0 0 0 42 69 1 0 0 0 0 43 45 1 0 0 0 0 43 47 1 0 0 0 0 43 70 1 0 0 0 0 44 46 1 0 0 0 0 44 48 1 0 0 0 0 44 71 1 0 0 0 0 45 49 1 0 0 0 0 45 72 1 0 0 0 0 46 52 1 1 0 0 0 46 73 1 0 0 0 0 47 53 1 1 0 0 0 47 74 1 0 0 0 0 48 50 1 0 0 0 0 48 75 1 0 0 0 0 49 76 1 0 0 0 0 50 77 1 0 0 0 0 51 78 1 0 0 0 0 51 79 1 0 0 0 0 52 80 1 0 0 0 0 52 81 1 0 0 0 0 53 82 1 0 0 0 0 53 83 1 0 0 0 0 55 60 2 0 0 0 0 55 87 1 0 0 0 0 57 61 2 0 0 0 0 57 88 1 0 0 0 0 59 62 2 0 0 0 0 59 89 1 0 0 0 0 60 63 1 0 0 0 0 60 91 1 0 0 0 0 61 64 1 0 0 0 0 61 95 1 0 0 0 0 62 65 1 0 0 0 0 62 97 1 0 0 0 0 M END > 5459393 > 1 > 2220 > 28 > 12 > 18 > AAADcfB7vgOAAAAAAAAAAAAAAAAAASJEgAAgQIAAAAAAAAAAAAAAHgAQCCAACBThgAYBAAPABxCIQCFWUICAAAAAAgAIAAAIAECDEAIAgAAOQAAPFyITAMDwMAIAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA== > [(2R,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-2-[[[(2R,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-4-hydroxy-2-(phosphonooxymethyl)tetrahydrofuran-3-yl]oxy-hydroxy-phosphoryl]oxymethyl]-4-hydroxy-tetrahydrofuran-3-yl] [(2R,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-4-hydroxy-3-phosphonooxy-tetrahydrofuran-2-yl]methyl hydrogen phosphate > [(2R,3S,4R,5R)-5-(2,4-dioxo-1-pyrimidinyl)-2-[[[(2R,3S,4R,5R)-5-(2,4-dioxo-1-pyrimidinyl)-4-hydroxy-2-(phosphonooxymethyl)-3-oxolanyl]oxy-hydroxyphosphoryl]oxymethyl]-4-hydroxy-3-oxolanyl] [(2R,3S,4R,5R)-5-(2,4-dioxo-1-pyrimidinyl)-4-hydroxy-3-phosphonooxy-2-oxolanyl]methyl hydrogen phosphate > [(2R,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-2-[[[(2R,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-4-hydroxy-2-(phosphonooxymethyl)oxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]-4-hydroxyoxolan-3-yl] [(2R,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-4-hydroxy-3-phosphonooxyoxolan-2-yl]methyl hydrogen phosphate > [(2R,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-2-[[[(2R,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-4-hydroxy-2-(phosphonooxymethyl)oxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]-4-hydroxyoxolan-3-yl] [(2R,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-4-hydroxy-3-phosphonooxyoxolan-2-yl]methyl hydrogen phosphate > [(2R,3S,4R,5R)-5-[2,4-bis(oxidanylidene)pyrimidin-1-yl]-2-[[[(2R,3S,4R,5R)-5-[2,4-bis(oxidanylidene)pyrimidin-1-yl]-4-oxidanyl-2-(phosphonooxymethyl)oxolan-3-yl]oxy-oxidanyl-phosphoryl]oxymethyl]-4-oxidanyl-oxolan-3-yl] [(2R,3S,4R,5R)-5-[2,4-bis(oxidanylidene)pyrimidin-1-yl]-4-oxidanyl-3-phosphonooxy-oxolan-2-yl]methyl hydrogen phosphate > [(2R,3S,4R,5R)-5-(2,4-diketopyrimidin-1-yl)-2-[[[(2R,3S,4R,5R)-5-(2,4-diketopyrimidin-1-yl)-4-hydroxy-2-(phosphonooxymethyl)tetrahydrofuran-3-yl]oxy-hydroxy-phosphoryl]oxymethyl]-4-hydroxy-tetrahydrofuran-3-yl] [(2R,3S,4R,5R)-5-(2,4-diketopyrimidin-1-yl)-4-hydroxy-3-phosphonooxy-tetrahydrofuran-2-yl]methyl hydrogen phosphate > InChI=1S/C27H36N6O28P4/c34-13-1-4-31(25(40)28-13)22-16(37)19(59-63(46,47)48)11(57-22)8-54-64(49,50)61-21-12(58-24(18(21)39)33-6-3-15(36)30-27(33)42)9-55-65(51,52)60-20-10(7-53-62(43,44)45)56-23(17(20)38)32-5-2-14(35)29-26(32)41/h1-6,10-12,16-24,37-39H,7-9H2,(H,49,50)(H,51,52)(H,28,34,40)(H,29,35,41)(H,30,36,42)(H2,43,44,45)(H2,46,47,48)/t10-,11-,12-,16-,17-,18-,19-,20-,21-,22-,23-,24-/m1/s1 > SQGCRMKVOBPUGE-GDDMVZOWSA-N > -11 > 1016.05280250 > C27H36N6O28P4 > 1016.5 > C1=CN(C(=O)NC1=O)C2C(C(C(O2)COP(=O)(O)O)OP(=O)(O)OCC3C(C(C(O3)N4C=CC(=O)NC4=O)O)OP(=O)(O)OCC5C(C(C(O5)N6C=CC(=O)NC6=O)O)OP(=O)(O)O)O > C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)OP(=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)N4C=CC(=O)NC4=O)O)OP(=O)(O)OC[C@@H]5[C@H]([C@H]([C@@H](O5)N6C=CC(=O)NC6=O)O)OP(=O)(O)O)O > 482 > 1016.05280250 > 0 > 65 > 12 > 0 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 41 11 5 44 12 6 45 14 6 48 15 6 42 33 6 33 54 8 33 55 8 49 34 5 34 56 8 34 57 8 50 35 5 35 58 8 35 59 8 36 54 8 36 63 8 37 56 8 37 64 8 38 58 8 38 65 8 40 51 6 46 52 5 47 53 5 55 60 8 57 61 8 59 62 8 60 63 8 61 64 8 62 65 8 39 8 5 43 9 6 $$$$