73205974 -OEChem-04192419232D 94 99 0 1 0 0 0 0 0999 V2000 12.3887 1.3108 0.0000 P 0 0 3 0 0 0 0 0 0 0 0 0 7.2154 -0.7936 0.0000 P 0 0 3 0 0 0 0 0 0 0 0 0 9.0765 1.6709 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0504 -1.8345 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.6456 1.9800 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.7215 -0.7129 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6276 -1.6026 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.9733 -0.0891 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.8032 0.0154 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.1319 0.6417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5398 0.2815 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.2109 1.4030 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.2987 -0.4811 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4608 -0.4799 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.0578 2.0540 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4064 -0.2058 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.7196 0.5677 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0244 -1.3814 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.6175 3.2587 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8661 -2.8593 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.1488 -2.4580 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.8855 3.2587 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.1719 -3.2194 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 15.8430 -2.0978 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.7515 4.7587 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.3308 -4.5066 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 15.3078 -3.7451 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.8855 6.2587 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.7956 -6.1538 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 16.4667 -5.0323 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.6945 1.6709 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 10.3855 0.7199 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 9.3855 0.7199 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 9.8855 2.2587 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 5.6331 -1.4981 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 5.1331 -0.6321 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 4.9640 -2.2413 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 4.1550 -0.8400 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 14.8261 0.2816 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 15.8042 0.4895 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 16.3042 -0.3765 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 8.7977 -0.0891 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.6351 -1.1197 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 14.0829 0.9507 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4118 -0.1709 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0195 3.7587 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7515 3.7587 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4287 -3.8885 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1229 -3.5284 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7940 -2.4068 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0998 -2.7670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0195 4.7587 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6367 -4.8667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8855 5.2587 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.0020 -3.3850 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5877 -5.1757 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.2588 -4.0541 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1329 1.2325 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1040 0.1674 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7731 0.8169 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4379 2.5402 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9708 -0.9781 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7429 -0.1503 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5628 -2.4017 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5761 -1.0622 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.2472 0.0594 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.4234 0.5219 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.5264 -0.9554 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6268 -0.6851 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3550 -0.3609 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.1532 -1.5099 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.5715 1.3324 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.7918 1.4981 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9004 0.2108 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1207 0.3766 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7211 -0.6555 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1754 0.7830 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4825 3.4487 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.8276 1.4678 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.6632 0.0205 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8391 -3.6970 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.2548 -1.9920 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4825 5.0687 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.0650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.6643 1.9251 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4712 0.4108 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1759 -5.2816 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.5916 -3.5766 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3486 6.5687 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4224 6.5687 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3349 -6.5687 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3853 -6.3454 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.0564 -5.2239 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.0060 -5.4471 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 33 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 5 31 1 0 0 0 0 6 39 1 0 0 0 0 6 43 1 0 0 0 0 7 35 1 0 0 0 0 8 32 1 0 0 0 0 8 76 1 0 0 0 0 9 42 1 0 0 0 0 10 44 1 0 0 0 0 11 36 1 0 0 0 0 11 77 1 0 0 0 0 12 40 1 0 0 0 0 12 79 1 0 0 0 0 13 41 1 0 0 0 0 13 80 1 0 0 0 0 14 45 1 0 0 0 0 14 84 1 0 0 0 0 15 85 1 0 0 0 0 16 86 1 0 0 0 0 19 47 2 0 0 0 0 20 49 2 0 0 0 0 21 51 2 0 0 0 0 22 34 1 0 0 0 0 22 46 1 0 0 0 0 22 47 1 0 0 0 0 23 37 1 0 0 0 0 23 48 1 0 0 0 0 23 49 1 0 0 0 0 24 43 1 0 0 0 0 24 50 1 0 0 0 0 24 51 1 0 0 0 0 25 47 1 0 0 0 0 25 54 2 0 0 0 0 26 49 1 0 0 0 0 26 56 2 0 0 0 0 27 51 1 0 0 0 0 27 57 2 0 0 0 0 28 54 1 0 0 0 0 28 89 1 0 0 0 0 28 90 1 0 0 0 0 29 56 1 0 0 0 0 29 91 1 0 0 0 0 29 92 1 0 0 0 0 30 57 1 0 0 0 0 30 93 1 0 0 0 0 30 94 1 0 0 0 0 31 32 1 0 0 0 0 31 34 1 0 0 0 0 31 58 1 0 0 0 0 32 33 1 0 0 0 0 32 59 1 0 0 0 0 33 42 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 64 1 0 0 0 0 38 45 1 0 0 0 0 38 65 1 0 0 0 0 39 40 1 0 0 0 0 39 44 1 0 0 0 0 39 66 1 0 0 0 0 40 41 1 0 0 0 0 40 67 1 0 0 0 0 41 43 1 0 0 0 0 41 68 1 0 0 0 0 42 69 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 46 52 2 0 0 0 0 46 78 1 0 0 0 0 48 53 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 54 1 0 0 0 0 52 83 1 0 0 0 0 53 56 1 0 0 0 0 53 87 1 0 0 0 0 55 57 1 0 0 0 0 55 88 1 0 0 0 0 M END > 73205974 > 1 > 1900 > 19 > 10 > 14 > AAADcfB7/gMAAAAAAAAAAAAAAAAAASJEgAAgQIAAAAAAAAAAAAAAHgAQCCAACBThgAYBAANABxCoQCJmdICAAAEAAgAIAAAYABCDEAIAgAAOQAAHFgITAADwMAIAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA== > [5-(4-amino-2-oxo-pyrimidin-1-yl)-4-[[5-(4-amino-2-oxo-pyrimidin-1-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl]oxy-3-hydroxy-tetrahydrofuran-2-yl]methyl [2-(4-amino-2-oxo-pyrimidin-1-yl)-4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-3-yl] hydrogen phosphate > [5-(4-amino-2-oxo-1-pyrimidinyl)-4-[[5-(4-amino-2-oxo-1-pyrimidinyl)-3,4-dihydroxy-2-oxolanyl]methoxy-hydroxyphosphoryl]oxy-3-hydroxy-2-oxolanyl]methyl [2-(4-amino-2-oxo-1-pyrimidinyl)-4-hydroxy-5-(hydroxymethyl)-3-oxolanyl] hydrogen phosphate > [5-(4-amino-2-oxopyrimidin-1-yl)-4-[[5-(4-amino-2-oxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-3-hydroxyoxolan-2-yl]methyl [2-(4-amino-2-oxopyrimidin-1-yl)-4-hydroxy-5-(hydroxymethyl)oxolan-3-yl] hydrogen phosphate > [5-(4-amino-2-oxopyrimidin-1-yl)-4-[[5-(4-amino-2-oxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-3-hydroxyoxolan-2-yl]methyl [2-(4-amino-2-oxopyrimidin-1-yl)-4-hydroxy-5-(hydroxymethyl)oxolan-3-yl] hydrogen phosphate > [5-(4-azanyl-2-oxidanylidene-pyrimidin-1-yl)-4-[[5-(4-azanyl-2-oxidanylidene-pyrimidin-1-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-3-oxidanyl-oxolan-2-yl]methyl [2-(4-azanyl-2-oxidanylidene-pyrimidin-1-yl)-5-(hydroxymethyl)-4-oxidanyl-oxolan-3-yl] hydrogen phosphate > [5-(4-amino-2-keto-pyrimidin-1-yl)-4-[[5-(4-amino-2-keto-pyrimidin-1-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl]oxy-3-hydroxy-tetrahydrofuran-2-yl]methyl [2-(4-amino-2-keto-pyrimidin-1-yl)-4-hydroxy-5-methylol-tetrahydrofuran-3-yl] hydrogen phosphate > InChI=1S/C27H37N9O19P2/c28-13-1-4-34(25(42)31-13)22-19(41)16(38)11(52-22)8-49-56(45,46)55-21-18(40)12(53-24(21)36-6-3-15(30)33-27(36)44)9-50-57(47,48)54-20-17(39)10(7-37)51-23(20)35-5-2-14(29)32-26(35)43/h1-6,10-12,16-24,37-41H,7-9H2,(H,45,46)(H,47,48)(H2,28,31,42)(H2,29,32,43)(H2,30,33,44) > QTSMKOIXYHDXDV-UHFFFAOYSA-N > -9.2 > 853.16809398 > C27H37N9O19P2 > 853.6 > C1=CN(C(=O)N=C1N)C2C(C(C(O2)COP(=O)(O)OC3C(C(OC3N4C=CC(=NC4=O)N)COP(=O)(O)OC5C(C(OC5N6C=CC(=NC6=O)N)CO)O)O)O)O > C1=CN(C(=O)N=C1N)C2C(C(C(O2)COP(=O)(O)OC3C(C(OC3N4C=CC(=NC4=O)N)COP(=O)(O)OC5C(C(OC5N6C=CC(=NC6=O)N)CO)O)O)O)O > 416 > 853.16809398 > 0 > 57 > 0 > 12 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 36 11 3 40 12 3 41 13 3 34 22 3 22 46 8 22 47 8 37 23 3 23 48 8 23 49 8 43 24 3 24 50 8 24 51 8 25 47 8 25 54 8 26 49 8 26 56 8 27 51 8 27 57 8 33 42 3 38 45 3 39 44 3 46 52 8 48 53 8 31 5 3 50 55 8 52 54 8 53 56 8 55 57 8 35 7 3 32 8 3 $$$$