15725660 -OEChem-04192410522D 99104 0 1 0 0 0 0 0999 V2000 8.8306 -0.7936 0.0000 P 0 0 3 0 0 0 0 0 0 0 0 0 14.0039 1.3108 0.0000 P 0 0 3 0 0 0 0 0 0 0 0 0 3.3328 0.1892 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 10.6917 1.6709 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6656 -1.8345 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.2608 1.9800 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.2428 -1.6026 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.3367 -0.7129 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.5885 -0.0891 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.4184 0.0154 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1550 0.2815 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.7471 0.6417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.8261 1.4030 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.9139 -0.4811 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0759 -0.4799 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0216 -0.2058 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.6730 2.0540 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.6396 -1.3814 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.3348 0.5677 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.2327 3.2587 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.4813 -2.8593 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.7640 -2.4580 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5896 0.8584 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6637 -0.5539 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0019 0.9324 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.5007 3.2587 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.7871 -3.2194 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 17.4582 -2.0978 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.3667 4.7587 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.9460 -4.5066 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 16.9230 -3.7451 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.5007 6.2587 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.4108 -6.1538 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 18.0819 -5.0323 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.3097 1.6709 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.0007 0.7199 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.0007 0.7199 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.5007 2.2587 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.2483 -1.4981 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.7483 -0.6321 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.5792 -2.2413 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.7702 -0.8400 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.4413 0.2816 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.4194 0.4895 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.4129 -0.0891 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.9194 -0.3765 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 17.2503 -1.1197 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.0270 -0.1709 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.6981 0.9507 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6347 3.7587 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3667 3.7587 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0439 -3.8885 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7381 -3.5284 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.4092 -2.4068 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7150 -2.7670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6347 4.7587 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2518 -4.8667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5007 5.2587 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2029 -5.1757 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.6172 -3.3850 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.8740 -4.0541 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7481 1.2325 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6131 0.8169 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3883 0.8169 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0531 2.5402 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4705 -2.0769 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3581 -0.1503 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1780 -2.4017 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1913 -1.0622 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.8624 0.0594 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.0386 0.5219 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2420 -0.6851 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9702 -0.3609 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.2571 0.1434 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.7684 -1.5099 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5156 0.2108 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7359 0.3766 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.1867 1.3324 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.4070 1.4981 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3363 -0.6555 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7906 0.7830 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0977 3.4487 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.4427 1.4678 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4543 -3.6970 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.2784 0.0205 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.8700 -1.9920 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0977 5.0687 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0864 0.4108 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.2795 1.9251 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7911 -5.2816 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.2068 -3.5766 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9638 6.5687 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0376 6.5687 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9501 -6.5687 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0005 -6.3454 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.6668 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8553 -1.1436 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.6716 -5.2239 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.6212 -5.4471 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 7 1 0 0 0 0 1 10 1 0 0 0 0 1 16 1 0 0 0 0 1 18 2 0 0 0 0 2 6 1 0 0 0 0 2 12 1 0 0 0 0 2 17 1 0 0 0 0 2 19 2 0 0 0 0 3 15 1 0 0 0 0 3 23 1 0 0 0 0 3 24 1 0 0 0 0 3 25 2 0 0 0 0 4 37 1 0 0 0 0 4 38 1 0 0 0 0 5 41 1 0 0 0 0 5 42 1 0 0 0 0 35 6 1 6 0 0 0 39 7 1 1 0 0 0 8 43 1 0 0 0 0 8 47 1 0 0 0 0 36 9 1 6 0 0 0 9 80 1 0 0 0 0 10 45 1 0 0 0 0 40 11 1 1 0 0 0 11 81 1 0 0 0 0 12 49 1 0 0 0 0 44 13 1 1 0 0 0 13 83 1 0 0 0 0 46 14 1 1 0 0 0 14 85 1 0 0 0 0 15 48 1 0 0 0 0 16 88 1 0 0 0 0 17 89 1 0 0 0 0 20 51 2 0 0 0 0 21 53 2 0 0 0 0 22 55 2 0 0 0 0 23 96 1 0 0 0 0 24 97 1 0 0 0 0 38 26 1 1 0 0 0 26 50 1 0 0 0 0 26 51 1 0 0 0 0 41 27 1 6 0 0 0 27 52 1 0 0 0 0 27 53 1 0 0 0 0 47 28 1 6 0 0 0 28 54 1 0 0 0 0 28 55 1 0 0 0 0 29 51 1 0 0 0 0 29 58 2 0 0 0 0 30 53 1 0 0 0 0 30 59 2 0 0 0 0 31 55 1 0 0 0 0 31 61 2 0 0 0 0 32 58 1 0 0 0 0 32 92 1 0 0 0 0 32 93 1 0 0 0 0 33 59 1 0 0 0 0 33 94 1 0 0 0 0 33 95 1 0 0 0 0 34 61 1 0 0 0 0 34 98 1 0 0 0 0 34 99 1 0 0 0 0 35 36 1 0 0 0 0 35 38 1 0 0 0 0 35 62 1 0 0 0 0 36 37 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 40 1 0 0 0 0 39 41 1 0 0 0 0 39 66 1 0 0 0 0 40 42 1 0 0 0 0 40 67 1 0 0 0 0 41 68 1 0 0 0 0 42 48 1 6 0 0 0 42 69 1 0 0 0 0 43 44 1 0 0 0 0 43 49 1 6 0 0 0 43 70 1 0 0 0 0 44 46 1 0 0 0 0 44 71 1 0 0 0 0 45 72 1 0 0 0 0 45 73 1 0 0 0 0 46 47 1 0 0 0 0 46 74 1 0 0 0 0 47 75 1 0 0 0 0 48 76 1 0 0 0 0 48 77 1 0 0 0 0 49 78 1 0 0 0 0 49 79 1 0 0 0 0 50 56 2 0 0 0 0 50 82 1 0 0 0 0 52 57 2 0 0 0 0 52 84 1 0 0 0 0 54 60 2 0 0 0 0 54 86 1 0 0 0 0 56 58 1 0 0 0 0 56 87 1 0 0 0 0 57 59 1 0 0 0 0 57 90 1 0 0 0 0 60 61 1 0 0 0 0 60 91 1 0 0 0 0 M END > 15725660 > 1 > 2080 > 22 > 11 > 16 > AAADcfB7/gMAAAAAAAAAAAAAAAAAASJEgAAgQIAAAAAAAAAAAAAAHgAQCCAACBThgAYBAANABxCoQCJmdICAAAEAAgAIAAAYABCDEAIAgAAOQAAHFgITAADwMAIAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA== > [(2R,3R,4R,5R)-5-(4-amino-2-oxo-pyrimidin-1-yl)-4-[[(2R,3S,4R,5R)-5-(4-amino-2-oxo-pyrimidin-1-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl]oxy-3-hydroxy-tetrahydrofuran-2-yl]methyl [(2R,3R,4R,5R)-2-(4-amino-2-oxo-pyrimidin-1-yl)-4-hydroxy-5-(phosphonooxymethyl)tetrahydrofuran-3-yl] hydrogen phosphate > [(2R,3R,4R,5R)-5-(4-amino-2-oxo-1-pyrimidinyl)-4-[[(2R,3S,4R,5R)-5-(4-amino-2-oxo-1-pyrimidinyl)-3,4-dihydroxy-2-oxolanyl]methoxy-hydroxyphosphoryl]oxy-3-hydroxy-2-oxolanyl]methyl [(2R,3R,4R,5R)-2-(4-amino-2-oxo-1-pyrimidinyl)-4-hydroxy-5-(phosphonooxymethyl)-3-oxolanyl] hydrogen phosphate > [(2R,3R,4R,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-4-[[(2R,3S,4R,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-3-hydroxyoxolan-2-yl]methyl [(2R,3R,4R,5R)-2-(4-amino-2-oxopyrimidin-1-yl)-4-hydroxy-5-(phosphonooxymethyl)oxolan-3-yl] hydrogen phosphate > [(2R,3R,4R,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-4-[[(2R,3S,4R,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-3-hydroxyoxolan-2-yl]methyl [(2R,3R,4R,5R)-2-(4-amino-2-oxopyrimidin-1-yl)-4-hydroxy-5-(phosphonooxymethyl)oxolan-3-yl] hydrogen phosphate > [(2R,3R,4R,5R)-5-(4-azanyl-2-oxidanylidene-pyrimidin-1-yl)-4-[[(2R,3S,4R,5R)-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 [(2R,3R,4R,5R)-2-(4-azanyl-2-oxidanylidene-pyrimidin-1-yl)-4-oxidanyl-5-(phosphonooxymethyl)oxolan-3-yl] hydrogen phosphate > [(2R,3R,4R,5R)-5-(4-amino-2-keto-pyrimidin-1-yl)-4-[[(2R,3S,4R,5R)-5-(4-amino-2-keto-pyrimidin-1-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl]oxy-3-hydroxy-tetrahydrofuran-2-yl]methyl [(2R,3R,4R,5R)-2-(4-amino-2-keto-pyrimidin-1-yl)-4-hydroxy-5-(phosphonooxymethyl)tetrahydrofuran-3-yl] hydrogen phosphate > InChI=1S/C27H38N9O22P3/c28-13-1-4-34(25(41)31-13)22-19(40)16(37)10(54-22)8-52-60(47,48)58-21-18(39)12(56-24(21)36-6-3-15(30)33-27(36)43)9-53-61(49,50)57-20-17(38)11(7-51-59(44,45)46)55-23(20)35-5-2-14(29)32-26(35)42/h1-6,10-12,16-24,37-40H,7-9H2,(H,47,48)(H,49,50)(H2,28,31,41)(H2,29,32,42)(H2,30,33,43)(H2,44,45,46)/t10-,11-,12-,16-,17-,18-,19-,20-,21-,22-,23-,24-/m1/s1 > PUUREYJQAGDFSL-GDDMVZOWSA-N > -10.8 > 933.13442487 > C27H38N9O22P3 > 933.6 > 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)COP(=O)(O)O)O)O)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]([C@H](O[C@H]3N4C=CC(=NC4=O)N)COP(=O)(O)O[C@@H]5[C@@H]([C@H](O[C@H]5N6C=CC(=NC6=O)N)COP(=O)(O)O)O)O)O)O > 463 > 933.13442487 > 0 > 61 > 12 > 0 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 40 11 5 44 13 5 46 14 5 38 26 5 26 50 8 26 51 8 41 27 6 27 52 8 27 53 8 47 28 6 28 54 8 28 55 8 29 51 8 29 58 8 30 53 8 30 59 8 31 55 8 31 61 8 37 45 5 42 48 6 43 49 6 50 56 8 52 57 8 54 60 8 56 58 8 57 59 8 35 6 6 60 61 8 39 7 5 36 9 6 $$$$