59974178 -OEChem-04242421282D 76 79 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 16.6634 -4.6512 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 17.5949 -3.7747 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 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 11.7424 -4.2094 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 11.5333 -2.2203 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 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 3 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 14.8838 -4.5580 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 15.7973 -4.1512 0.0000 C 0 0 3 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 14.2147 -3.8148 0.0000 C 0 0 1 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 16.9712 -0.8403 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 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 14.2849 -4.7184 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.7649 -4.7704 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 13.8770 -3.2948 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 15.1366 -5.9510 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.6634 -5.2712 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 15.6384 -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 11 1 0 0 0 0 1 15 1 0 0 0 0 1 17 1 0 0 0 0 1 19 2 0 0 0 0 2 12 1 0 0 0 0 2 16 1 0 0 0 0 2 18 1 0 0 0 0 2 20 2 0 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 25 2 0 0 0 0 4 16 1 0 0 0 0 4 22 1 0 0 0 0 4 24 1 0 0 0 0 4 26 2 0 0 0 0 5 34 1 0 0 0 0 5 37 1 0 0 0 0 6 38 1 0 0 0 0 6 39 1 0 0 0 0 7 32 1 0 0 0 0 7 62 1 0 0 0 0 8 33 1 0 0 0 0 8 63 1 0 0 0 0 9 35 1 0 0 0 0 9 64 1 0 0 0 0 10 36 1 0 0 0 0 10 65 1 0 0 0 0 11 40 1 0 0 0 0 12 41 1 0 0 0 0 13 42 2 0 0 0 0 14 45 2 0 0 0 0 17 71 1 0 0 0 0 18 72 1 0 0 0 0 21 48 2 0 0 0 0 23 75 1 0 0 0 0 24 76 1 0 0 0 0 37 27 1 6 0 0 0 27 42 1 0 0 0 0 27 43 1 0 0 0 0 39 28 1 1 0 0 0 28 44 1 0 0 0 0 28 45 1 0 0 0 0 29 42 1 0 0 0 0 29 48 1 0 0 0 0 29 68 1 0 0 0 0 30 45 1 0 0 0 0 30 49 2 0 0 0 0 31 49 1 0 0 0 0 31 73 1 0 0 0 0 31 74 1 0 0 0 0 32 33 1 0 0 0 0 32 34 1 0 0 0 0 32 50 1 0 0 0 0 33 37 1 0 0 0 0 33 51 1 0 0 0 0 34 40 1 6 0 0 0 34 52 1 0 0 0 0 35 36 1 0 0 0 0 35 38 1 0 0 0 0 35 53 1 0 0 0 0 36 39 1 0 0 0 0 36 54 1 0 0 0 0 37 55 1 0 0 0 0 38 41 1 1 0 0 0 38 56 1 0 0 0 0 39 57 1 0 0 0 0 40 58 1 0 0 0 0 40 59 1 0 0 0 0 41 60 1 0 0 0 0 41 61 1 0 0 0 0 43 46 2 0 0 0 0 43 66 1 0 0 0 0 44 47 2 0 0 0 0 44 67 1 0 0 0 0 46 48 1 0 0 0 0 46 69 1 0 0 0 0 47 49 1 0 0 0 0 47 70 1 0 0 0 0 M END > 59974178 > 1 > 1620 > 22 > 10 > 14 > AAADceB7vgOAAAAAAAAAAAAAAAAAASJAAAAgQAAAAAAAAAAAAAAAHgAQCCAACBThgAYBAAPABxCoQCN2dICAAAEAAgAIAAAYAFCDEAIAgAAOQAAPFyITAMDwMAIAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA== > [[(2R,5R)-5-(4-amino-2-oxo-pyrimidin-1-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl] [[[(2R,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)-3,4-dihydroxy-2-oxolanyl]methoxy-hydroxyphosphoryl] [[[(2R,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)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] [[[(2R,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)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] [[[(2R,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)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [[[(2R,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)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl] [[[(2R,5R)-5-(2,4-diketopyrimidin-1-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl]oxy-hydroxy-phosphoryl] hydrogen phosphate > InChI=1S/C18H27N5O22P4/c19-9-1-3-22(17(29)20-9)15-13(27)11(25)7(41-15)5-39-46(31,32)43-48(35,36)45-49(37,38)44-47(33,34)40-6-8-12(26)14(28)16(42-8)23-4-2-10(24)21-18(23)30/h1-4,7-8,11-16,25-28H,5-6H2,(H,31,32)(H,33,34)(H,35,36)(H,37,38)(H2,19,20,29)(H,21,24,30)/t7-,8-,11?,12?,13?,14?,15-,16-/m1/s1 > ARJZTLPNENVQJG-WYPOBRGPSA-N > -9.4 > 789.00981550 > C18H27N5O22P4 > 789.3 > C1=CN(C(=O)N=C1N)C2C(C(C(O2)COP(=O)(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)N=C1N)[C@H]2C(C([C@H](O2)COP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OC[C@@H]3C(C([C@@H](O3)N4C=CC(=O)NC4=O)O)O)O)O > 403 > 789.00981550 > 0 > 49 > 4 > 4 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 36 10 3 37 27 6 27 42 8 27 43 8 39 28 5 28 44 8 28 45 8 29 42 8 29 48 8 30 45 8 30 49 8 34 40 6 38 41 5 43 46 8 44 47 8 46 48 8 47 49 8 32 7 3 33 8 3 35 9 3 $$$$