46876814 -OEChem-05062415122D 96101 0 1 0 0 0 0 0999 V2000 12.4478 -0.8461 0.0000 P 0 0 3 0 0 0 0 0 0 0 0 0 7.2744 1.2584 0.0000 P 0 0 3 0 0 0 0 0 0 0 0 0 17.9456 0.1368 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 10.5867 1.6185 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.6127 -1.8870 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0176 1.9275 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.0355 -1.6551 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9416 -0.7654 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.6899 -0.1416 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.8600 -0.0370 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.1233 0.2290 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.5313 0.5893 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4522 1.3506 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3644 -0.5335 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.2024 -0.5323 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.2568 -0.2583 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6053 2.0015 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.6387 -1.4338 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.9436 0.5152 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.5097 3.2063 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.1855 -3.6320 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1260 -1.7902 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.6887 0.8059 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.6147 -0.6063 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.7777 6.2063 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.2764 0.8800 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.8675 -6.2063 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1964 -5.0847 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.7777 3.2063 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 14.4913 -3.2718 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.8202 -2.1503 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.6437 4.7063 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 15.0265 -4.9191 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.6612 -3.4374 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.9686 1.6185 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.2777 0.6674 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.2777 0.6674 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.7777 2.2063 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 14.0301 -1.5506 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 14.5301 -0.6845 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.6992 -2.2937 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 15.5082 -0.8924 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.8371 0.2291 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.8590 0.4371 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.8654 -0.1416 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3590 -0.4290 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.0281 -1.1721 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 16.2514 -0.2233 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5802 0.8983 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6437 3.7063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9116 3.7063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.2344 -3.9410 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5402 -3.5809 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8691 -2.4593 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5633 -2.8194 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9116 4.7063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3323 -4.5590 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7777 5.2063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0755 -5.2281 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3554 -3.7975 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4043 -4.1066 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5302 1.1801 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5591 0.1150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8900 0.7644 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3301 2.4878 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.6924 -1.0306 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.9202 -0.2027 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.1003 -2.4542 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.0870 -1.1146 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4159 0.0070 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2398 0.4695 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3082 -0.4134 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0363 -0.7376 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1368 -1.0078 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5099 -1.5623 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.5424 0.3241 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.7628 0.1584 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8713 1.4457 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0917 1.2800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9420 -0.7080 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.4878 0.7306 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3747 3.3963 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0795 -3.1660 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8356 1.4154 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.0319 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1530 -2.6278 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1806 5.0163 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3747 5.0163 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.1920 0.3583 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.4873 -5.3340 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7427 -4.7506 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7969 2.5912 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0715 -3.6290 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8162 -4.2124 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.2784 0.6143 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.2211 -0.4774 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 7 1 0 0 0 0 1 10 1 0 0 0 0 1 16 1 0 0 0 0 1 18 2 0 0 0 0 2 6 1 0 0 0 0 2 12 1 0 0 0 0 2 17 1 0 0 0 0 2 19 2 0 0 0 0 3 15 1 0 0 0 0 3 23 1 0 0 0 0 3 24 1 0 0 0 0 3 26 2 0 0 0 0 4 37 1 0 0 0 0 4 38 1 0 0 0 0 5 41 1 0 0 0 0 5 42 1 0 0 0 0 35 6 1 1 0 0 0 39 7 1 6 0 0 0 8 43 1 0 0 0 0 8 47 1 0 0 0 0 36 9 1 1 0 0 0 9 80 1 0 0 0 0 10 45 1 0 0 0 0 40 11 1 6 0 0 0 11 81 1 0 0 0 0 12 49 1 0 0 0 0 44 13 1 6 0 0 0 13 84 1 0 0 0 0 46 14 1 6 0 0 0 14 85 1 0 0 0 0 15 48 1 0 0 0 0 16 89 1 0 0 0 0 17 92 1 0 0 0 0 20 50 2 0 0 0 0 21 52 2 0 0 0 0 22 54 2 0 0 0 0 23 95 1 0 0 0 0 24 96 1 0 0 0 0 25 58 2 0 0 0 0 27 59 2 0 0 0 0 28 61 2 0 0 0 0 29 38 1 0 0 0 0 29 50 1 0 0 0 0 29 51 1 0 0 0 0 30 41 1 0 0 0 0 30 52 1 0 0 0 0 30 53 1 0 0 0 0 31 47 1 0 0 0 0 31 54 1 0 0 0 0 31 55 1 0 0 0 0 32 50 1 0 0 0 0 32 58 1 0 0 0 0 32 87 1 0 0 0 0 33 52 1 0 0 0 0 33 59 1 0 0 0 0 33 90 1 0 0 0 0 34 54 1 0 0 0 0 34 61 1 0 0 0 0 34 93 1 0 0 0 0 35 36 1 0 0 0 0 35 38 1 0 0 0 0 35 62 1 0 0 0 0 36 37 1 0 0 0 0 36 63 1 0 0 0 0 37 45 1 6 0 0 0 37 64 1 0 0 0 0 38 65 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 42 1 0 0 0 0 40 67 1 0 0 0 0 41 68 1 0 0 0 0 42 48 1 1 0 0 0 42 69 1 0 0 0 0 43 44 1 0 0 0 0 43 49 1 1 0 0 0 43 70 1 0 0 0 0 44 46 1 0 0 0 0 44 71 1 0 0 0 0 45 72 1 0 0 0 0 45 73 1 0 0 0 0 46 47 1 0 0 0 0 46 74 1 0 0 0 0 47 75 1 0 0 0 0 48 76 1 0 0 0 0 48 77 1 0 0 0 0 49 78 1 0 0 0 0 49 79 1 0 0 0 0 51 56 2 0 0 0 0 51 82 1 0 0 0 0 53 57 2 0 0 0 0 53 83 1 0 0 0 0 55 60 2 0 0 0 0 55 86 1 0 0 0 0 56 58 1 0 0 0 0 56 88 1 0 0 0 0 57 59 1 0 0 0 0 57 91 1 0 0 0 0 60 61 1 0 0 0 0 60 94 1 0 0 0 0 M END > 46876814 > 1 > 2030 > 25 > 11 > 16 > AAADcfB7vgMAAAAAAAAAAAAAAAAAASJEgAAgQIAAAAAAAAAAAAAAHgAQCCAACBThgAYBAAPABxCIQCFWUICAAAAAAgAIAAAIAECDEAIAgAAOQAAPFyITAMDwMAIAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA== > [(2R,3S,4R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl [(3R,4R,5R)-2-(2,4-dioxopyrimidin-1-yl)-5-[[[(3R,4R,5R)-2-(2,4-dioxopyrimidin-1-yl)-4-hydroxy-5-(phosphonooxymethyl)tetrahydrofuran-3-yl]oxy-hydroxy-phosphoryl]oxymethyl]-4-hydroxy-tetrahydrofuran-3-yl] hydrogen phosphate > [(2R,3S,4R)-5-(2,4-dioxo-1-pyrimidinyl)-3,4-dihydroxy-2-oxolanyl]methyl [(3R,4R,5R)-2-(2,4-dioxo-1-pyrimidinyl)-5-[[[(3R,4R,5R)-2-(2,4-dioxo-1-pyrimidinyl)-4-hydroxy-5-(phosphonooxymethyl)-3-oxolanyl]oxy-hydroxyphosphoryl]oxymethyl]-4-hydroxy-3-oxolanyl] hydrogen phosphate > [(2R,3S,4R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl [(3R,4R,5R)-2-(2,4-dioxopyrimidin-1-yl)-5-[[[(3R,4R,5R)-2-(2,4-dioxopyrimidin-1-yl)-4-hydroxy-5-(phosphonooxymethyl)oxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]-4-hydroxyoxolan-3-yl] hydrogen phosphate > [(2R,3S,4R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl [(3R,4R,5R)-2-(2,4-dioxopyrimidin-1-yl)-5-[[[(3R,4R,5R)-2-(2,4-dioxopyrimidin-1-yl)-4-hydroxy-5-(phosphonooxymethyl)oxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]-4-hydroxyoxolan-3-yl] hydrogen phosphate > [(2R,3R,4R)-5-[2,4-bis(oxidanylidene)pyrimidin-1-yl]-4-[[(2R,3S,4R)-5-[2,4-bis(oxidanylidene)pyrimidin-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-3-oxidanyl-oxolan-2-yl]methyl [(3R,4R,5R)-2-[2,4-bis(oxidanylidene)pyrimidin-1-yl]-4-oxidanyl-5-(phosphonooxymethyl)oxolan-3-yl] hydrogen phosphate > [(2R,3S,4R)-5-(2,4-diketopyrimidin-1-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl [(3R,4R,5R)-2-(2,4-diketopyrimidin-1-yl)-5-[[[(3R,4R,5R)-2-(2,4-diketopyrimidin-1-yl)-4-hydroxy-5-(phosphonooxymethyl)tetrahydrofuran-3-yl]oxy-hydroxy-phosphoryl]oxymethyl]-4-hydroxy-tetrahydrofuran-3-yl] hydrogen phosphate > InChI=1S/C27H35N6O25P3/c34-13-1-4-31(25(41)28-13)22-19(40)16(37)10(54-22)8-52-60(47,48)58-21-18(39)12(56-24(21)33-6-3-15(36)30-27(33)43)9-53-61(49,50)57-20-17(38)11(7-51-59(44,45)46)55-23(20)32-5-2-14(35)29-26(32)42/h1-6,10-12,16-24,37-40H,7-9H2,(H,47,48)(H,49,50)(H,28,34,41)(H,29,35,42)(H,30,36,43)(H2,44,45,46)/t10-,11-,12-,16-,17-,18-,19-,20-,21-,22?,23?,24?/m1/s1 > RWPYWHYTCXAQCC-JRXXYSHDSA-N > -9.9 > 936.08647162 > C27H35N6O25P3 > 936.5 > C1=CN(C(=O)NC1=O)C2C(C(C(O2)COP(=O)(O)OC3C(C(OC3N4C=CC(=O)NC4=O)COP(=O)(O)OC5C(C(OC5N6C=CC(=O)NC6=O)COP(=O)(O)O)O)O)O)O > C1=CN(C(=O)NC1=O)C2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O[C@@H]3[C@@H]([C@H](OC3N4C=CC(=O)NC4=O)COP(=O)(O)O[C@@H]5[C@@H]([C@H](OC5N6C=CC(=O)NC6=O)COP(=O)(O)O)O)O)O)O > 435 > 936.08647162 > 0 > 61 > 9 > 3 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 40 11 6 44 13 6 46 14 6 38 29 3 29 50 8 29 51 8 41 30 3 30 52 8 30 53 8 47 31 3 31 54 8 31 55 8 32 50 8 32 58 8 33 52 8 33 59 8 34 54 8 34 61 8 37 45 6 42 48 5 43 49 5 51 56 8 53 57 8 55 60 8 56 58 8 57 59 8 35 6 5 60 61 8 39 7 6 36 9 5 $$$$