59093575 -OEChem-05042411052D 75 78 0 1 0 0 0 0 0999 V2000 6.8909 -1.1014 0.0000 P 0 0 3 0 0 0 0 0 0 0 0 0 11.6378 -3.2149 0.0000 P 0 0 3 0 0 0 0 0 0 0 0 0 8.4732 -1.8059 0.0000 P 0 0 3 0 0 0 0 0 0 0 0 0 10.0555 -2.5104 0.0000 P 0 0 3 0 0 0 0 0 0 0 0 0 5.0298 1.3632 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.7147 -2.9488 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1330 -0.3969 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4608 1.6722 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.6759 -5.5361 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3031 -0.2924 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.6324 -3.1103 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9529 2.9510 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.4787 -1.9104 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.5949 -3.7747 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.6433 -3.3194 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.6999 -0.5136 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0819 -1.6892 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.7424 -4.2094 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2208 5.9510 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.5333 -2.2203 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.4677 -1.7013 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5778 -2.8004 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.8645 -1.9226 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.3687 -0.8114 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.2465 -3.0982 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2208 2.9510 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 16.4360 -2.4876 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.0868 4.4510 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 18.1302 -2.1274 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 18.6654 -0.4802 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.7208 0.4121 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 3.4118 1.3632 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.7208 0.4121 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.2208 1.9510 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.8838 -4.5580 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 14.2147 -3.8148 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.7973 -4.1512 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.6928 -3.1567 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.3086 -0.3969 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2201 -3.9193 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0868 3.4510 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3548 3.4510 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.2280 -1.5094 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.3870 -2.7966 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3548 4.4510 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2208 4.9510 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.9712 -0.8403 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.9222 -1.1493 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1085 0.5091 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9734 0.9248 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3332 0.5091 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6684 2.2324 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.2849 -4.7184 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.8770 -3.2948 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.9889 -4.7409 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.4038 -4.0223 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.5323 -2.5578 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7514 -0.6687 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4795 -0.9929 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6629 -4.1911 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.3910 -4.5153 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3852 -0.9633 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 1.2573 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8179 3.1410 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.1366 -5.9510 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.6384 -1.3178 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6238 4.7610 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8179 4.7610 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.8423 -0.2338 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6351 0.1030 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2408 -4.5738 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.2550 -0.6718 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.5365 0.1263 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0762 -3.1648 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7997 -1.3060 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 18 1 0 0 0 0 2 20 2 0 0 0 0 3 13 1 0 0 0 0 3 21 1 0 0 0 0 3 22 1 0 0 0 0 3 24 2 0 0 0 0 4 15 1 0 0 0 0 4 21 1 0 0 0 0 4 23 1 0 0 0 0 4 25 2 0 0 0 0 5 33 1 0 0 0 0 5 34 1 0 0 0 0 6 36 1 0 0 0 0 6 38 1 0 0 0 0 7 31 1 0 0 0 0 7 62 1 0 0 0 0 32 8 1 6 0 0 0 8 63 1 0 0 0 0 9 35 1 0 0 0 0 9 65 1 0 0 0 0 10 39 1 0 0 0 0 11 40 1 0 0 0 0 12 41 2 0 0 0 0 14 44 2 0 0 0 0 16 70 1 0 0 0 0 18 71 1 0 0 0 0 19 46 2 0 0 0 0 22 74 1 0 0 0 0 23 75 1 0 0 0 0 34 26 1 6 0 0 0 26 41 1 0 0 0 0 26 42 1 0 0 0 0 38 27 1 1 0 0 0 27 43 1 0 0 0 0 27 44 1 0 0 0 0 28 41 1 0 0 0 0 28 46 1 0 0 0 0 28 67 1 0 0 0 0 29 44 1 0 0 0 0 29 48 2 0 0 0 0 30 48 1 0 0 0 0 30 72 1 0 0 0 0 30 73 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 40 1 1 0 0 0 36 54 1 0 0 0 0 37 38 1 0 0 0 0 37 55 1 0 0 0 0 37 56 1 0 0 0 0 38 57 1 0 0 0 0 39 58 1 0 0 0 0 39 59 1 0 0 0 0 40 60 1 0 0 0 0 40 61 1 0 0 0 0 42 45 2 0 0 0 0 42 64 1 0 0 0 0 43 47 2 0 0 0 0 43 66 1 0 0 0 0 45 46 1 0 0 0 0 45 68 1 0 0 0 0 47 48 1 0 0 0 0 47 69 1 0 0 0 0 M END > 59093575 > 1 > 1590 > 21 > 9 > 14 > AAADceB7vgOAAAAAAAAAAAAAAAAAASJAAAAgQAAAAAAAAAAAAAAAHgAQCCAACBThgAYBAAPABxCoQCN2dICAAAEAAgAIAAAYAFCDEAIAgAAOQAAPFyITAMDwMAIAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA== > [[(2R,5R)-5-(4-amino-2-oxo-pyrimidin-1-yl)-3-hydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl] [[[(2R,4S,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl]oxy-hydroxy-phosphoryl] hydrogen phosphate > [[(2R,5R)-5-(4-amino-2-oxo-1-pyrimidinyl)-3-hydroxy-2-oxolanyl]methoxy-hydroxyphosphoryl] [[[(2R,4S,5R)-5-(2,4-dioxo-1-pyrimidinyl)-3,4-dihydroxy-2-oxolanyl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl] hydrogen phosphate > [[(2R,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] [[[(2R,4S,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl] hydrogen phosphate > [[(2R,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] [[[(2R,4S,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl] hydrogen phosphate > [[(2R,5R)-5-(4-azanyl-2-oxidanylidene-pyrimidin-1-yl)-3-oxidanyl-oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [[[(2R,4S,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,5R)-5-(4-amino-2-keto-pyrimidin-1-yl)-3-hydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl] [[[(2R,4S,5R)-5-(2,4-diketopyrimidin-1-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl]oxy-hydroxy-phosphoryl] hydrogen phosphate > InChI=1S/C18H27N5O21P4/c19-11-1-3-22(17(28)20-11)13-5-8(24)9(40-13)6-38-45(30,31)42-47(34,35)44-48(36,37)43-46(32,33)39-7-10-14(26)15(27)16(41-10)23-4-2-12(25)21-18(23)29/h1-4,8-10,13-16,24,26-27H,5-7H2,(H,30,31)(H,32,33)(H,34,35)(H,36,37)(H2,19,20,28)(H,21,25,29)/t8?,9-,10-,13-,14?,15+,16-/m1/s1 > FPNPSEMJLALQSA-XTPPOBMHSA-N > -8.4 > 773.01490088 > C18H27N5O21P4 > 773.3 > C1C(C(OC1N2C=CC(=NC2=O)N)COP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OCC3C(C(C(O3)N4C=CC(=O)NC4=O)O)O)O > C1[C@@H](O[C@@H](C1O)COP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OC[C@@H]2C([C@@H]([C@@H](O2)N3C=CC(=O)NC3=O)O)O)N4C=CC(=NC4=O)N > 383 > 773.01490088 > 0 > 48 > 5 > 2 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 34 26 6 26 41 8 26 42 8 38 27 5 27 43 8 27 44 8 28 41 8 28 46 8 29 44 8 29 48 8 33 39 6 36 40 5 42 45 8 43 47 8 45 46 8 47 48 8 31 7 3 32 8 6 35 9 3 $$$$