56965949 -OEChem-05032420262D 93 98 0 1 0 0 0 0 0999 V2000 3.5398 -0.4014 0.0000 P 0 0 3 0 0 0 0 0 0 0 0 0 6.8909 -0.1924 0.0000 P 0 0 3 0 0 0 0 0 0 0 0 0 5.0298 2.2722 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.9514 -0.2387 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1330 0.5121 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7436 -3.2454 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.4787 -1.0014 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4608 2.5812 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3031 0.6166 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9465 -1.3150 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9344 -2.6182 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2709 -4.0081 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7267 -5.6249 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.1543 1.6917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6262 -0.8082 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.6999 0.3954 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4533 0.0053 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0819 -0.7802 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9529 3.8600 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.0559 -3.2333 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8481 -6.2400 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2208 6.8600 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2208 3.8600 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.9219 -1.7333 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.7142 -4.7400 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.0868 5.3600 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.7879 -3.2333 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.5802 -6.2400 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 13.5200 -3.2333 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.3122 -6.2400 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.7208 1.3211 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.7208 1.3211 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.4118 2.2722 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.2208 2.8600 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.4732 -0.8969 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.1424 -1.6400 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.9732 -0.0308 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.0559 -1.2333 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.7655 -3.0375 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.3086 0.5121 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2655 -3.9036 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.9346 -4.6467 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.8481 -4.2400 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.3587 -2.1240 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5665 0.8827 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0868 4.3600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3548 4.3600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7879 -1.2333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9219 -2.7333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5802 -4.2400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7142 -5.7400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3548 5.3600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2208 5.8600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6540 -1.7333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4462 -4.7400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6540 -2.7333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4462 -5.7400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1085 1.4181 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3332 1.4181 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3148 2.8846 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6684 3.1414 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1356 -0.3769 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5435 -1.8005 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3634 0.4510 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0235 -1.8524 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1556 -2.5557 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7514 0.2403 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4795 -0.0839 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9278 -3.3836 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4164 -5.0369 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8157 -4.8591 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9280 -1.6780 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8447 -2.4707 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1358 1.3287 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0525 0.5360 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 2.1663 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3448 -2.8098 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8179 4.0500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0188 -4.5745 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1370 -5.8164 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7879 -0.6133 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5802 -3.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6238 5.6700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8179 5.6700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9021 2.2581 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1246 -0.4437 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6351 1.0120 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.1909 -1.4233 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9832 -4.4300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.0569 -2.9233 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.5200 -3.8533 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3122 -6.8600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8492 -5.9300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 5 1 0 0 0 0 1 10 1 0 0 0 0 1 15 1 0 0 0 0 1 17 2 0 0 0 0 2 7 1 0 0 0 0 2 9 1 0 0 0 0 2 16 1 0 0 0 0 2 18 2 0 0 0 0 3 32 1 0 0 0 0 3 34 1 0 0 0 0 4 37 1 0 0 0 0 4 38 1 0 0 0 0 31 5 1 1 0 0 0 6 39 1 0 0 0 0 6 43 1 0 0 0 0 35 7 1 6 0 0 0 33 8 1 1 0 0 0 8 76 1 0 0 0 0 9 40 1 0 0 0 0 10 44 1 0 0 0 0 36 11 1 6 0 0 0 11 77 1 0 0 0 0 41 12 1 6 0 0 0 12 79 1 0 0 0 0 42 13 1 6 0 0 0 13 80 1 0 0 0 0 14 45 1 0 0 0 0 14 85 1 0 0 0 0 15 86 1 0 0 0 0 16 87 1 0 0 0 0 19 46 2 0 0 0 0 20 49 2 0 0 0 0 21 51 2 0 0 0 0 22 53 2 0 0 0 0 34 23 1 6 0 0 0 23 46 1 0 0 0 0 23 47 1 0 0 0 0 38 24 1 1 0 0 0 24 48 1 0 0 0 0 24 49 1 0 0 0 0 43 25 1 1 0 0 0 25 50 1 0 0 0 0 25 51 1 0 0 0 0 26 46 1 0 0 0 0 26 53 1 0 0 0 0 26 83 1 0 0 0 0 27 49 1 0 0 0 0 27 56 2 0 0 0 0 28 51 1 0 0 0 0 28 57 2 0 0 0 0 29 56 1 0 0 0 0 29 90 1 0 0 0 0 29 91 1 0 0 0 0 30 57 1 0 0 0 0 30 92 1 0 0 0 0 30 93 1 0 0 0 0 31 32 1 0 0 0 0 31 33 1 0 0 0 0 31 58 1 0 0 0 0 32 40 1 6 0 0 0 32 59 1 0 0 0 0 33 34 1 0 0 0 0 33 60 1 0 0 0 0 34 61 1 0 0 0 0 35 36 1 0 0 0 0 35 37 1 0 0 0 0 35 62 1 0 0 0 0 36 38 1 0 0 0 0 36 63 1 0 0 0 0 37 45 1 1 0 0 0 37 64 1 0 0 0 0 38 65 1 0 0 0 0 39 41 1 0 0 0 0 39 44 1 1 0 0 0 39 66 1 0 0 0 0 40 67 1 0 0 0 0 40 68 1 0 0 0 0 41 42 1 0 0 0 0 41 69 1 0 0 0 0 42 43 1 0 0 0 0 42 70 1 0 0 0 0 43 71 1 0 0 0 0 44 72 1 0 0 0 0 44 73 1 0 0 0 0 45 74 1 0 0 0 0 45 75 1 0 0 0 0 47 52 2 0 0 0 0 47 78 1 0 0 0 0 48 54 2 0 0 0 0 48 81 1 0 0 0 0 50 55 2 0 0 0 0 50 82 1 0 0 0 0 52 53 1 0 0 0 0 52 84 1 0 0 0 0 54 56 1 0 0 0 0 54 88 1 0 0 0 0 55 57 1 0 0 0 0 55 89 1 0 0 0 0 M END > 56965949 > 1 > 1880 > 20 > 10 > 14 > AAADcfB7/gMAAAAAAAAAAAAAAAAAASJEgAAgQIAAAAAAAAAAAAAAHgAQCCAACBThgAYBAAPABxCoQCN2dICAAAEAAgAIAAAYAFCDEAIAgAAOQAAPFyITAMDwMAIAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA== > [(2R,3S,4R,5R)-3-[[(2R,3S,4R,5R)-5-(4-amino-2-oxo-pyrimidin-1-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl]oxy-5-(2,4-dioxopyrimidin-1-yl)-4-hydroxy-tetrahydrofuran-2-yl]methyl [(2R,3S,4R,5R)-5-(4-amino-2-oxo-pyrimidin-1-yl)-4-hydroxy-2-(hydroxymethyl)tetrahydrofuran-3-yl] hydrogen phosphate > [(2R,3S,4R,5R)-3-[[(2R,3S,4R,5R)-5-(4-amino-2-oxo-1-pyrimidinyl)-3,4-dihydroxy-2-oxolanyl]methoxy-hydroxyphosphoryl]oxy-5-(2,4-dioxo-1-pyrimidinyl)-4-hydroxy-2-oxolanyl]methyl [(2R,3S,4R,5R)-5-(4-amino-2-oxo-1-pyrimidinyl)-4-hydroxy-2-(hydroxymethyl)-3-oxolanyl] hydrogen phosphate > [(2R,3S,4R,5R)-3-[[(2R,3S,4R,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-5-(2,4-dioxopyrimidin-1-yl)-4-hydroxyoxolan-2-yl]methyl [(2R,3S,4R,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl] hydrogen phosphate > [(2R,3S,4R,5R)-3-[[(2R,3S,4R,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-5-(2,4-dioxopyrimidin-1-yl)-4-hydroxyoxolan-2-yl]methyl [(2R,3S,4R,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl] hydrogen phosphate > [(2R,3S,4R,5R)-3-[[(2R,3S,4R,5R)-5-(4-azanyl-2-oxidanylidene-pyrimidin-1-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-5-[2,4-bis(oxidanylidene)pyrimidin-1-yl]-4-oxidanyl-oxolan-2-yl]methyl [(2R,3S,4R,5R)-5-(4-azanyl-2-oxidanylidene-pyrimidin-1-yl)-2-(hydroxymethyl)-4-oxidanyl-oxolan-3-yl] hydrogen phosphate > [(2R,3S,4R,5R)-3-[[(2R,3S,4R,5R)-5-(4-amino-2-keto-pyrimidin-1-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl]oxy-5-(2,4-diketopyrimidin-1-yl)-4-hydroxy-tetrahydrofuran-2-yl]methyl [(2R,3S,4R,5R)-5-(4-amino-2-keto-pyrimidin-1-yl)-4-hydroxy-2-methylol-tetrahydrofuran-3-yl] hydrogen phosphate > InChI=1S/C27H36N8O20P2/c28-13-1-4-33(25(42)30-13)22-17(39)16(38)11(52-22)8-49-56(45,46)55-21-12(53-24(19(21)41)35-6-3-15(37)32-27(35)44)9-50-57(47,48)54-20-10(7-36)51-23(18(20)40)34-5-2-14(29)31-26(34)43/h1-6,10-12,16-24,36,38-41H,7-9H2,(H,45,46)(H,47,48)(H2,28,30,42)(H2,29,31,43)(H,32,37,44)/t10-,11-,12-,16-,17-,18-,19-,20-,21-,22-,23-,24-/m1/s1 > FEXSGKNYDSPYIO-GDDMVZOWSA-N > -9.4 > 854.15210956 > C27H36N8O20P2 > 854.6 > C1=CN(C(=O)N=C1N)C2C(C(C(O2)COP(=O)(O)OC3C(OC(C3O)N4C=CC(=O)NC4=O)COP(=O)(O)OC5C(OC(C5O)N6C=CC(=NC6=O)N)CO)O)O > C1=CN(C(=O)N=C1N)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O[C@@H]3[C@H](O[C@H]([C@@H]3O)N4C=CC(=O)NC4=O)COP(=O)(O)O[C@@H]5[C@H](O[C@H]([C@@H]5O)N6C=CC(=NC6=O)N)CO)O)O > 407 > 854.15210956 > 0 > 57 > 12 > 0 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 36 11 6 41 12 6 42 13 6 34 23 6 23 46 8 23 47 8 38 24 5 24 48 8 24 49 8 43 25 5 25 50 8 25 51 8 26 46 8 26 53 8 27 49 8 27 56 8 28 51 8 28 57 8 32 40 6 37 45 5 39 44 5 47 52 8 48 54 8 31 5 5 50 55 8 52 53 8 54 56 8 55 57 8 35 7 6 33 8 5 $$$$