56946416 -OEChem-04192422152D 74 77 0 1 0 0 0 0 0999 V2000 6.8909 1.0567 0.0000 P 0 0 3 0 0 0 0 0 0 0 0 0 11.6378 -1.0567 0.0000 P 0 0 2 0 0 0 0 0 0 0 0 0 8.4732 0.3522 0.0000 P 0 0 3 0 0 0 0 0 0 0 0 0 10.0555 -0.3522 0.0000 P 0 0 3 0 0 0 0 0 0 0 0 0 5.0298 3.5213 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.4989 -3.5213 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1330 1.7612 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4608 3.8303 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.3957 -1.7612 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.0680 -3.8303 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3031 1.8658 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.2256 -1.8658 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9529 5.1091 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.5759 -5.1091 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.4787 0.2477 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.6999 1.6445 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.6433 -1.1613 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0819 0.4689 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2208 8.1091 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.3079 -8.1091 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.0446 -0.1432 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.4677 0.4568 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5778 -0.6423 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.3687 1.3468 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.8645 0.2355 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.2465 -0.9400 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2208 5.1091 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 14.3079 -5.1091 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.0868 6.6091 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 13.4419 -6.6091 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.7208 2.5702 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.4118 3.5213 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.7208 2.5702 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.2208 4.1091 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.8079 -2.5702 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.1169 -3.5213 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.8079 -2.5702 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.3079 -4.1091 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.3086 1.7612 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2201 -1.7612 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0868 5.6091 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3548 5.6091 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4419 -5.6091 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1740 -5.6091 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3548 6.6091 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1740 -6.6091 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2208 7.1091 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3079 -7.1091 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1085 2.6672 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9734 3.0829 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3332 2.6672 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6684 4.3906 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.4203 -2.6672 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.2139 -4.1337 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.1956 -2.6672 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.8604 -4.3906 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7514 1.4894 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4795 1.1652 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.7774 -1.4894 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0492 -1.1652 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3852 1.1948 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 3.4154 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.0123 -1.8260 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.5288 -3.4154 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8179 5.2991 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.7109 -5.2991 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6238 6.9191 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8179 6.9191 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9050 -6.9191 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.7109 -6.9191 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6351 2.2611 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6612 -0.0784 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0762 -1.0067 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7997 0.8521 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 11 1 0 0 0 0 1 15 1 0 0 0 0 1 16 1 0 0 0 0 1 18 2 0 0 0 0 2 12 1 0 0 0 0 2 17 1 0 0 0 0 2 21 1 6 0 0 0 3 15 1 0 0 0 0 3 22 1 0 0 0 0 3 23 1 0 0 0 0 3 24 2 0 0 0 0 4 17 1 0 0 0 0 4 22 1 0 0 0 0 4 25 1 0 0 0 0 4 26 2 0 0 0 0 5 33 1 0 0 0 0 5 34 1 0 0 0 0 6 37 1 0 0 0 0 6 38 1 0 0 0 0 31 7 1 1 0 0 0 7 61 1 0 0 0 0 32 8 1 1 0 0 0 8 62 1 0 0 0 0 35 9 1 1 0 0 0 9 63 1 0 0 0 0 36 10 1 1 0 0 0 10 64 1 0 0 0 0 11 39 1 0 0 0 0 12 40 1 0 0 0 0 13 41 2 0 0 0 0 14 43 2 0 0 0 0 16 71 1 0 0 0 0 19 47 2 0 0 0 0 20 48 2 0 0 0 0 21 72 1 0 0 0 0 23 73 1 0 0 0 0 25 74 1 0 0 0 0 34 27 1 6 0 0 0 27 41 1 0 0 0 0 27 42 1 0 0 0 0 38 28 1 6 0 0 0 28 43 1 0 0 0 0 28 44 1 0 0 0 0 29 41 1 0 0 0 0 29 47 1 0 0 0 0 29 67 1 0 0 0 0 30 43 1 0 0 0 0 30 48 1 0 0 0 0 30 69 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 39 1 6 0 0 0 33 51 1 0 0 0 0 34 52 1 0 0 0 0 35 36 1 0 0 0 0 35 37 1 0 0 0 0 35 53 1 0 0 0 0 36 38 1 0 0 0 0 36 54 1 0 0 0 0 37 40 1 6 0 0 0 37 55 1 0 0 0 0 38 56 1 0 0 0 0 39 57 1 0 0 0 0 39 58 1 0 0 0 0 40 59 1 0 0 0 0 40 60 1 0 0 0 0 42 45 2 0 0 0 0 42 65 1 0 0 0 0 44 46 2 0 0 0 0 44 66 1 0 0 0 0 45 47 1 0 0 0 0 45 68 1 0 0 0 0 46 48 1 0 0 0 0 46 70 1 0 0 0 0 M END > 56946416 > 1 > 1500 > 22 > 10 > 14 > AAADceB7vgOAAAAAAAAAAAAAAAAAASJAAAAgQAAAAAAAAAAAAAAAHgAQCCAACBThgAYBAAPABxCIQCFWUICAAAAAAgAIAAAIAECDEAIAgAAOQAAPFyITAMDwMAIAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA== > [[(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]oxy-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]oxy-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]oxy-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]oxy-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]oxy-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]oxy-hydroxy-phosphoryl] hydrogen phosphate > InChI=1S/C18H26N4O22P4/c23-9-1-3-21(17(29)19-9)15-13(27)11(25)7(40-15)5-38-45(31)42-47(34,35)44-48(36,37)43-46(32,33)39-6-8-12(26)14(28)16(41-8)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,36,37)(H,19,23,29)(H,20,24,30)/t7-,8-,11-,12-,13-,14-,15-,16-,45-/m1/s1 > XPZPCWBYQGFXGC-MEIXJURASA-N > -8.5 > 773.99891646 > C18H26N4O22P4 > 774.3 > C1=CN(C(=O)NC1=O)C2C(C(C(O2)COP(O)OP(=O)(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)OP(=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)N4C=CC(=O)NC4=O)O)O)O)O > 377 > 773.99891646 > 0 > 48 > 9 > 0 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 36 10 5 2 21 6 34 27 6 27 41 8 27 42 8 38 28 6 28 43 8 28 44 8 29 41 8 29 47 8 30 43 8 30 48 8 33 39 6 37 40 6 42 45 8 44 46 8 45 47 8 46 48 8 31 7 5 32 8 5 35 9 5 $$$$