5884 -OEChem-05042412192D 78 82 0 1 0 0 0 0 0999 V2000 3.4033 1.8294 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 8.9744 2.2226 0.0000 P 0 0 3 0 0 0 0 0 0 0 0 0 10.6973 2.4007 0.0000 P 0 0 3 0 0 0 0 0 0 0 0 0 6.4398 0.4582 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.5392 1.1919 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9018 0.9626 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1836 2.7204 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.3061 3.6633 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.9204 2.2047 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.1644 1.6362 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.6101 1.9924 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.7844 2.8090 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9048 2.6963 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5364 1.3309 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2702 2.3279 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.5608 1.4126 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.1056 3.3135 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.3880 3.0326 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.2890 1.4878 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.5275 -2.3767 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1775 -0.7997 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 15.0320 0.2188 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.1775 -2.4092 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.3653 -0.6045 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.4992 -2.1045 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.3653 -3.6045 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 15.0260 -3.2453 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.9018 0.9608 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.4910 1.7688 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.4882 0.1508 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.4415 1.4582 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.1999 2.6689 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.9419 1.9985 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.3330 2.1704 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.5335 1.0857 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.2515 2.0445 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4201 2.5787 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2313 -1.1045 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7611 -1.6045 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5305 -0.6464 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2313 -2.1045 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.0320 0.2171 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0290 -1.5133 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.0290 -1.5150 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.5305 -0.6498 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3653 -2.6045 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4992 -1.1045 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5275 -2.3784 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6194 0.4089 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8788 1.8669 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9258 -0.2884 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9934 1.1757 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.7791 2.8901 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.3312 1.5160 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8505 1.7811 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.1950 0.5663 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5991 2.5580 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8063 2.4760 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7677 3.0922 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9749 3.0102 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5993 3.1804 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3811 -1.6045 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.8730 3.9145 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.1130 2.7940 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.9105 -0.6453 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.3430 0.7535 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.9203 -2.1254 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.6113 -1.7281 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.1505 -0.6509 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2848 2.6974 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 1.6419 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9623 -0.7945 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3076 0.8466 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7420 3.8157 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8283 -3.9145 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9022 -3.9145 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.7151 -3.7817 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.6460 -3.2464 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 6 1 0 0 0 0 1 13 1 0 0 0 0 1 14 1 0 0 0 0 1 15 2 0 0 0 0 2 10 1 0 0 0 0 2 12 1 0 0 0 0 2 16 1 0 0 0 0 2 18 2 0 0 0 0 3 11 1 0 0 0 0 3 12 1 0 0 0 0 3 17 1 0 0 0 0 3 19 2 0 0 0 0 4 30 1 0 0 0 0 4 31 1 0 0 0 0 5 34 1 0 0 0 0 5 35 1 0 0 0 0 28 6 1 6 0 0 0 29 7 1 6 0 0 0 7 61 1 0 0 0 0 32 8 1 1 0 0 0 8 63 1 0 0 0 0 33 9 1 1 0 0 0 9 64 1 0 0 0 0 10 36 1 0 0 0 0 11 37 1 0 0 0 0 13 70 1 0 0 0 0 14 71 1 0 0 0 0 16 73 1 0 0 0 0 17 74 1 0 0 0 0 20 48 2 0 0 0 0 30 21 1 1 0 0 0 21 38 1 0 0 0 0 21 39 1 0 0 0 0 35 22 1 6 0 0 0 22 40 1 0 0 0 0 22 42 1 0 0 0 0 23 39 2 0 0 0 0 23 41 1 0 0 0 0 24 38 2 0 0 0 0 24 47 1 0 0 0 0 25 46 1 0 0 0 0 25 47 2 0 0 0 0 26 46 1 0 0 0 0 26 75 1 0 0 0 0 26 76 1 0 0 0 0 27 48 1 0 0 0 0 27 77 1 0 0 0 0 27 78 1 0 0 0 0 28 29 1 0 0 0 0 28 30 1 0 0 0 0 28 49 1 0 0 0 0 29 31 1 0 0 0 0 29 50 1 0 0 0 0 30 51 1 0 0 0 0 31 36 1 1 0 0 0 31 52 1 0 0 0 0 32 33 1 0 0 0 0 32 34 1 0 0 0 0 32 53 1 0 0 0 0 33 35 1 0 0 0 0 33 54 1 0 0 0 0 34 37 1 6 0 0 0 34 55 1 0 0 0 0 35 56 1 0 0 0 0 36 57 1 0 0 0 0 36 58 1 0 0 0 0 37 59 1 0 0 0 0 37 60 1 0 0 0 0 38 41 1 0 0 0 0 39 62 1 0 0 0 0 40 43 2 0 0 0 0 40 65 1 0 0 0 0 41 46 2 0 0 0 0 42 45 2 0 0 0 0 42 66 1 0 0 0 0 43 44 1 0 0 0 0 43 48 1 0 0 0 0 44 45 1 0 0 0 0 44 67 1 0 0 0 0 44 68 1 0 0 0 0 45 69 1 0 0 0 0 47 72 1 0 0 0 0 M END > 5884 > 1 > 1410 > 22 > 9 > 13 > AAADceB7vgMAAAAAAAAAAAAAAAAAAWJEgAAsQAAAAAAAAFgB+AAAHgAQCCAADBzhlwYF8L9MFxCoQyd3dICAgC0xEqAJUCEoVFiDWBJAyUAeRAgPgALTAODwMAIAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA== > [[(2R,3R,4R,5R)-5-(6-aminopurin-9-yl)-3-hydroxy-4-phosphonooxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl] [(2R,3S,4R,5R)-5-(3-carbamoyl-4H-pyridin-1-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl hydrogen phosphate > [[(2R,3R,4R,5R)-5-(6-aminopurin-9-yl)-3-hydroxy-4-phosphonooxy-2-oxolanyl]methoxy-hydroxyphosphoryl] [(2R,3S,4R,5R)-5-(3-carbamoyl-4H-pyridin-1-yl)-3,4-dihydroxy-2-oxolanyl]methyl hydrogen phosphate > [[(2R,3R,4R,5R)-5-(6-aminopurin-9-yl)-3-hydroxy-4-phosphonooxyoxolan-2-yl]methoxy-hydroxyphosphoryl] [(2R,3S,4R,5R)-5-(3-carbamoyl-4H-pyridin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl hydrogen phosphate > [[(2R,3R,4R,5R)-5-(6-aminopurin-9-yl)-3-hydroxy-4-phosphonooxyoxolan-2-yl]methoxy-hydroxyphosphoryl] [(2R,3S,4R,5R)-5-(3-carbamoyl-4H-pyridin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl hydrogen phosphate > [[(2R,3S,4R,5R)-5-(3-aminocarbonyl-4H-pyridin-1-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2R,3R,4R,5R)-5-(6-aminopurin-9-yl)-3-oxidanyl-4-phosphonooxy-oxolan-2-yl]methyl hydrogen phosphate > [[(2R,3R,4R,5R)-5-adenin-9-yl-3-hydroxy-4-phosphonooxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl] [(2R,3S,4R,5R)-5-(3-carbamoyl-4H-pyridin-1-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl hydrogen phosphate > InChI=1S/C21H30N7O17P3/c22-17-12-19(25-7-24-17)28(8-26-12)21-16(44-46(33,34)35)14(30)11(43-21)6-41-48(38,39)45-47(36,37)40-5-10-13(29)15(31)20(42-10)27-3-1-2-9(4-27)18(23)32/h1,3-4,7-8,10-11,13-16,20-21,29-31H,2,5-6H2,(H2,23,32)(H,36,37)(H,38,39)(H2,22,24,25)(H2,33,34,35)/t10-,11-,13-,14-,15-,16-,20-,21-/m1/s1 > ACFIXJIJDZMPPO-NNYOXOHSSA-N > -6.8 > 745.09110351 > C21H30N7O17P3 > 745.4 > C1C=CN(C=C1C(=O)N)C2C(C(C(O2)COP(=O)(O)OP(=O)(O)OCC3C(C(C(O3)N4C=NC5=C(N=CN=C54)N)OP(=O)(O)O)O)O)O > C1C=CN(C=C1C(=O)N)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)OP(=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)N4C=NC5=C(N=CN=C54)N)OP(=O)(O)O)O)O)O > 364 > 745.09110351 > 0 > 48 > 8 > 0 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 30 21 5 21 38 8 21 39 8 35 22 6 23 39 8 23 41 8 24 38 8 24 47 8 25 46 8 25 47 8 31 36 5 34 37 6 38 41 8 41 46 8 28 6 6 29 7 6 32 8 5 33 9 5 $$$$