56946201 -OEChem-04232415252D 69 72 0 1 0 0 0 0 0999 V2000 6.8909 -1.0435 0.0000 P 0 0 3 0 0 0 0 0 0 0 0 0 10.0555 -2.4525 0.0000 P 0 0 2 0 0 0 0 0 0 0 0 0 8.4732 -1.7480 0.0000 P 0 0 3 0 0 0 0 0 0 0 0 0 5.0298 1.4211 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.3015 -3.7956 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1330 -0.3390 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4608 1.7301 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.7256 -1.2729 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.8537 -1.7252 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3031 -0.2345 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.0501 -2.3480 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9529 3.0088 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.4787 -1.8525 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.2150 -5.3888 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.4677 -1.6435 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.6999 -0.4557 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0819 -1.6313 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2208 6.0088 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.6488 -3.3660 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.6791 -5.3888 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5778 -2.7425 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.3687 -0.7535 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2208 3.0088 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 15.0811 -3.8888 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.0868 4.5088 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 15.9471 -5.3888 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.7208 0.4700 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.4118 1.4211 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.7208 0.4700 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.2208 2.0088 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.1324 -2.1864 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.1105 -2.3943 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.6324 -3.0524 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.2150 -3.3888 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.3086 -0.3390 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6378 -3.1570 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0868 3.5088 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3548 3.5088 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0811 -4.8888 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9471 -3.3888 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3548 4.5088 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.8131 -3.8888 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2208 5.0088 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.8131 -4.8888 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1085 0.5670 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9734 0.9827 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3332 0.5670 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6684 2.2903 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.5225 -1.7046 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.6893 -2.6165 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.4102 -3.6313 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.7350 -3.0512 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7514 -0.6108 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4795 -0.9350 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0806 -3.4288 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8087 -3.7530 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3852 -0.9054 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 1.3152 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0900 -0.7713 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.7247 -1.1187 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8179 3.1989 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.9471 -2.7688 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6238 4.8188 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8179 4.8188 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.9471 -6.0088 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.3500 -3.5788 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6351 0.1609 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0132 -3.8676 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0762 -3.1069 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 10 1 0 0 0 0 1 13 1 0 0 0 0 1 16 1 0 0 0 0 1 17 2 0 0 0 0 2 11 1 0 0 0 0 2 15 1 0 0 0 0 2 19 1 1 0 0 0 3 13 1 0 0 0 0 3 15 1 0 0 0 0 3 21 1 0 0 0 0 3 22 2 0 0 0 0 4 29 1 0 0 0 0 4 30 1 0 0 0 0 5 33 1 0 0 0 0 5 34 1 0 0 0 0 27 6 1 1 0 0 0 6 57 1 0 0 0 0 28 7 1 1 0 0 0 7 58 1 0 0 0 0 31 8 1 1 0 0 0 8 59 1 0 0 0 0 32 9 1 1 0 0 0 9 60 1 0 0 0 0 10 35 1 0 0 0 0 11 36 1 0 0 0 0 12 37 2 0 0 0 0 14 39 2 0 0 0 0 16 67 1 0 0 0 0 18 43 2 0 0 0 0 19 68 1 0 0 0 0 20 44 2 0 0 0 0 21 69 1 0 0 0 0 30 23 1 6 0 0 0 23 37 1 0 0 0 0 23 38 1 0 0 0 0 34 24 1 6 0 0 0 24 39 1 0 0 0 0 24 40 1 0 0 0 0 25 37 1 0 0 0 0 25 43 1 0 0 0 0 25 63 1 0 0 0 0 26 39 1 0 0 0 0 26 44 1 0 0 0 0 26 65 1 0 0 0 0 27 28 1 0 0 0 0 27 29 1 0 0 0 0 27 45 1 0 0 0 0 28 30 1 0 0 0 0 28 46 1 0 0 0 0 29 35 1 6 0 0 0 29 47 1 0 0 0 0 30 48 1 0 0 0 0 31 32 1 0 0 0 0 31 33 1 0 0 0 0 31 49 1 0 0 0 0 32 34 1 0 0 0 0 32 50 1 0 0 0 0 33 36 1 6 0 0 0 33 51 1 0 0 0 0 34 52 1 0 0 0 0 35 53 1 0 0 0 0 35 54 1 0 0 0 0 36 55 1 0 0 0 0 36 56 1 0 0 0 0 38 41 2 0 0 0 0 38 61 1 0 0 0 0 40 42 2 0 0 0 0 40 62 1 0 0 0 0 41 43 1 0 0 0 0 41 64 1 0 0 0 0 42 44 1 0 0 0 0 42 66 1 0 0 0 0 M END > 56946201 > 1 > 1320 > 19 > 9 > 12 > AAADceB7vgMAAAAAAAAAAAAAAAAAASJAAAAgQAAAAAAAAAAAAAAAHgAQCCAACBThgAYBAAPABxCIQCFWUICAAAAAAgAIAAAIAECDEAIAgAAOQAAPFyITAMDwMAIAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA== > [[(2R,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphanyl] [[(2R,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl] hydrogen phosphate > [[(2R,3S,4R,5R)-5-(2,4-dioxo-1-pyrimidinyl)-3,4-dihydroxy-2-oxolanyl]methoxy-hydroxyphosphino] [[(2R,3S,4R,5R)-5-(2,4-dioxo-1-pyrimidinyl)-3,4-dihydroxy-2-oxolanyl]methoxy-hydroxyphosphoryl] hydrogen phosphate > [[(2R,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphanyl] [[(2R,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] hydrogen phosphate > [[(2R,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphanyl] [[(2R,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] hydrogen phosphate > [[(2R,3S,4R,5R)-5-[2,4-bis(oxidanylidene)pyrimidin-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphanyl] [[(2R,3S,4R,5R)-5-[2,4-bis(oxidanylidene)pyrimidin-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] hydrogen phosphate > [[(2R,3S,4R,5R)-5-(2,4-diketopyrimidin-1-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphino] [[(2R,3S,4R,5R)-5-(2,4-diketopyrimidin-1-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl] hydrogen phosphate > InChI=1S/C18H25N4O19P3/c23-9-1-3-21(17(29)19-9)15-13(27)11(25)7(38-15)5-36-42(31)40-44(34,35)41-43(32,33)37-6-8-12(26)14(28)16(39-8)22-4-2-10(24)20-18(22)30/h1-4,7-8,11-16,25-28,31H,5-6H2,(H,32,33)(H,34,35)(H,19,23,29)(H,20,24,30)/t7-,8-,11-,12-,13-,14-,15-,16-,42-/m1/s1 > AZFXTEIZCDGROE-NKVYBXCISA-N > -7.4 > 694.03258557 > C18H25N4O19P3 > 694.3 > C1=CN(C(=O)NC1=O)C2C(C(C(O2)COP(O)OP(=O)(O)OP(=O)(O)OCC3C(C(C(O3)N4C=CC(=O)NC4=O)O)O)O)O > C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](O)OP(=O)(O)OP(=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)N4C=CC(=O)NC4=O)O)O)O)O > 330 > 694.03258557 > 0 > 44 > 9 > 0 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 2 19 5 30 23 6 23 37 8 23 38 8 34 24 6 24 39 8 24 40 8 25 37 8 25 43 8 26 39 8 26 44 8 29 35 6 33 36 6 38 41 8 40 42 8 41 43 8 42 44 8 27 6 5 28 7 5 31 8 5 32 9 5 $$$$