449291 -OEChem-04232415052D 99104 0 1 0 0 0 0 0999 V2000 9.1660 -0.3474 0.0000 P 0 0 3 0 0 0 0 0 0 0 0 0 12.5172 -0.5564 0.0000 P 0 0 3 0 0 0 0 0 0 0 0 0 7.3094 2.4503 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 11.0271 2.1172 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.1056 -0.3937 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.9239 0.3571 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5782 -1.1564 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.3133 -3.4004 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.7538 0.4616 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.5962 2.4262 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1225 -2.7732 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.1104 -1.4700 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.7860 -4.1631 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.3303 -5.7799 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.9027 1.5367 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.3570 0.2404 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.4307 -0.9632 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.9750 -0.9352 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.6036 -0.1497 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.5682 3.7050 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -0.3883 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.4767 -3.3950 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7161 3.3638 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3959 2.8570 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.2230 2.0435 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.8361 3.7050 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -1.8883 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.3428 -4.8950 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.7021 5.2050 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -1.8883 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.6107 -4.8950 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.8361 6.7050 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 -3.3883 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.7447 -6.3950 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.3361 1.1661 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.3361 1.1661 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.6451 2.1172 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.5837 -1.0519 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.8361 2.7050 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.9146 -1.7950 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.0837 -0.1858 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.0010 -1.3883 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.7483 0.3571 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2915 -3.1925 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.7915 -4.0586 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.1223 -4.8017 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.2088 -4.3950 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.4904 0.7277 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6982 -2.2790 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9701 4.2050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7021 4.2050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -2.8883 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -1.3883 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3428 -5.8950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4767 -4.3950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9701 5.2050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -3.3883 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8361 5.7050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -2.8883 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4767 -6.3950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6107 -5.8950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0546 0.6137 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7237 1.2631 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0835 1.6788 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8059 -1.6307 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3885 2.9864 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4328 -2.1852 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6935 0.2960 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4811 -1.0506 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5774 -0.2389 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3056 0.0853 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9013 -2.7107 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.1291 -3.5386 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7212 -4.9622 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6888 -4.0573 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0044 0.3810 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9211 1.1737 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.2122 -2.6257 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.1289 -1.8330 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.0569 2.0113 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6617 -3.1880 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4332 3.8950 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.0382 -4.7295 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9199 -5.9714 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6720 -3.1983 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8797 -6.2050 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4332 5.5150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4218 0.8570 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.9323 -0.5987 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -4.0083 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4767 -7.0150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2992 7.0150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3730 7.0150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -3.0783 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 -4.0083 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3517 3.8654 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8943 2.4926 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7447 -7.0150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2078 -6.0850 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 7 1 0 0 0 0 1 9 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 36 1 0 0 0 0 4 39 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 38 7 1 1 0 0 0 8 44 1 0 0 0 0 8 47 1 0 0 0 0 9 43 1 0 0 0 0 37 10 1 6 0 0 0 10 80 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 45 13 1 1 0 0 0 13 83 1 0 0 0 0 46 14 1 1 0 0 0 14 84 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 39 26 1 1 0 0 0 26 50 1 0 0 0 0 26 51 1 0 0 0 0 42 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 37 1 0 0 0 0 35 62 1 0 0 0 0 36 43 1 1 0 0 0 36 63 1 0 0 0 0 37 39 1 0 0 0 0 37 64 1 0 0 0 0 38 40 1 0 0 0 0 38 41 1 0 0 0 0 38 65 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 48 1 6 0 0 0 41 68 1 0 0 0 0 42 69 1 0 0 0 0 43 70 1 0 0 0 0 43 71 1 0 0 0 0 44 45 1 0 0 0 0 44 49 1 6 0 0 0 44 72 1 0 0 0 0 45 46 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 85 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 > 449291 > 1 > 2080 > 22 > 11 > 16 > AAADcfB7/gMAAAAAAAAAAAAAAAAAASJEgAAgQIAAAAAAAAAAAAAAHgAQCCAACBThgAYBAANABxCoQCJmdICAAAEAAgAIAAAYABCDEAIAgAAOQAAHFgITAADwMAIAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA== > [(2R,3S,4R,5R)-5-(4-amino-2-oxo-pyrimidin-1-yl)-3-[[(2R,3S,4R,5R)-5-(4-amino-2-oxo-pyrimidin-1-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl]oxy-4-hydroxy-tetrahydrofuran-2-yl]methyl [(2R,3S,4R,5R)-5-(4-amino-2-oxo-pyrimidin-1-yl)-4-hydroxy-2-(phosphonooxymethyl)tetrahydrofuran-3-yl] hydrogen phosphate > [(2R,3S,4R,5R)-5-(4-amino-2-oxo-1-pyrimidinyl)-3-[[(2R,3S,4R,5R)-5-(4-amino-2-oxo-1-pyrimidinyl)-3,4-dihydroxy-2-oxolanyl]methoxy-hydroxyphosphoryl]oxy-4-hydroxy-2-oxolanyl]methyl [(2R,3S,4R,5R)-5-(4-amino-2-oxo-1-pyrimidinyl)-4-hydroxy-2-(phosphonooxymethyl)-3-oxolanyl] hydrogen phosphate > [(2R,3S,4R,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-3-[[(2R,3S,4R,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-4-hydroxyoxolan-2-yl]methyl [(2R,3S,4R,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-4-hydroxy-2-(phosphonooxymethyl)oxolan-3-yl] hydrogen phosphate > [(2R,3S,4R,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-3-[[(2R,3S,4R,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-4-hydroxyoxolan-2-yl]methyl [(2R,3S,4R,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-4-hydroxy-2-(phosphonooxymethyl)oxolan-3-yl] hydrogen phosphate > [(2R,3S,4R,5R)-5-(4-azanyl-2-oxidanylidene-pyrimidin-1-yl)-3-[[(2R,3S,4R,5R)-5-(4-azanyl-2-oxidanylidene-pyrimidin-1-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-4-oxidanyl-oxolan-2-yl]methyl [(2R,3S,4R,5R)-5-(4-azanyl-2-oxidanylidene-pyrimidin-1-yl)-4-oxidanyl-2-(phosphonooxymethyl)oxolan-3-yl] hydrogen phosphate > [(2R,3S,4R,5R)-5-(4-amino-2-keto-pyrimidin-1-yl)-3-[[(2R,3S,4R,5R)-5-(4-amino-2-keto-pyrimidin-1-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl]oxy-4-hydroxy-tetrahydrofuran-2-yl]methyl [(2R,3S,4R,5R)-5-(4-amino-2-keto-pyrimidin-1-yl)-4-hydroxy-2-(phosphonooxymethyl)tetrahydrofuran-3-yl] hydrogen phosphate > InChI=1S/C27H38N9O22P3/c28-13-1-4-34(25(41)31-13)22-17(38)16(37)10(54-22)7-52-60(47,48)58-21-12(56-24(19(21)40)36-6-3-15(30)33-27(36)43)9-53-61(49,50)57-20-11(8-51-59(44,45)46)55-23(18(20)39)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 > IKLBPEYVGWFRLB-GDDMVZOWSA-N > -10.8 > 933.13442487 > C27H38N9O22P3 > 933.6 > C1=CN(C(=O)N=C1N)C2C(C(C(O2)COP(=O)(O)OC3C(OC(C3O)N4C=CC(=NC4=O)N)COP(=O)(O)OC5C(OC(C5O)N6C=CC(=NC6=O)N)COP(=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](O[C@H]([C@@H]3O)N4C=CC(=NC4=O)N)COP(=O)(O)O[C@@H]5[C@H](O[C@H]([C@@H]5O)N6C=CC(=NC6=O)N)COP(=O)(O)O)O)O > 463 > 933.13442487 > 0 > 61 > 12 > 0 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 37 10 6 40 11 5 45 13 5 46 14 5 39 26 5 26 50 8 26 51 8 42 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 36 43 5 41 48 6 44 49 6 50 56 8 52 57 8 54 60 8 56 58 8 57 59 8 35 6 6 60 61 8 38 7 5 $$$$