71507522 -OEChem-05102420512D 62 64 0 1 0 0 0 0 0999 V2000 8.4752 2.2720 0.0000 P 0 0 3 0 0 0 0 0 0 0 0 0 10.1980 2.4500 0.0000 P 0 0 3 0 0 0 0 0 0 0 0 0 11.9209 2.6281 0.0000 P 0 0 3 0 0 0 0 0 0 0 0 0 5.9405 0.5075 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4026 1.0119 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6844 2.7698 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.6651 1.6856 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.2852 2.8584 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.0615 1.4619 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.8888 3.0820 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.1109 2.0417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.7309 3.2145 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.6063 3.3629 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.7897 1.5372 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.5073 1.8181 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.3345 3.4381 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6783 -0.7504 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.6783 -2.3598 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -0.5551 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -2.0551 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -3.5551 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.4026 1.0102 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.9917 1.8182 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.9889 0.2002 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.9422 1.5075 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.7523 2.0939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -1.0551 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2619 -1.5551 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -2.0551 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -2.5551 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -1.0551 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.3667 2.9842 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4538 3.3926 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.1767 3.5706 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6438 2.8062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.0895 3.1623 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1220 1.5631 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4309 2.2558 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4266 -0.2390 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4942 1.2251 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0999 2.6073 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3070 2.5254 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0935 1.5494 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1000 3.2298 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8819 -1.5551 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -0.7451 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3291 -3.8651 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -3.8651 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8084 0.8960 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.0191 2.4708 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.8119 2.5528 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.8014 3.9060 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.0086 3.8240 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.5243 4.0840 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.7314 4.0021 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.2962 2.2928 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.0890 2.3747 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.8364 2.5964 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.6555 2.9092 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.3427 3.7283 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2428 3.8651 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.2541 1.2521 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 7 1 0 0 0 0 1 8 1 0 0 0 0 1 9 1 0 0 0 0 1 10 2 0 0 0 0 2 8 1 0 0 0 0 2 11 1 0 0 0 0 2 13 1 0 0 0 0 2 14 2 0 0 0 0 3 11 1 0 0 0 0 3 12 1 0 0 0 0 3 15 1 0 0 0 0 3 16 2 0 0 0 0 4 24 1 0 0 0 0 4 25 1 0 0 0 0 22 5 1 6 0 0 0 5 43 1 0 0 0 0 23 6 1 6 0 0 0 6 44 1 0 0 0 0 7 26 1 0 0 0 0 9 49 1 0 0 0 0 12 35 1 0 0 0 0 13 61 1 0 0 0 0 15 62 1 0 0 0 0 24 17 1 1 0 0 0 17 27 1 0 0 0 0 17 28 1 0 0 0 0 18 28 2 0 0 0 0 18 29 1 0 0 0 0 19 27 2 0 0 0 0 19 31 1 0 0 0 0 20 30 1 0 0 0 0 20 31 2 0 0 0 0 21 30 1 0 0 0 0 21 47 1 0 0 0 0 21 48 1 0 0 0 0 22 23 1 0 0 0 0 22 24 1 0 0 0 0 22 37 1 0 0 0 0 23 25 1 0 0 0 0 23 38 1 0 0 0 0 24 39 1 0 0 0 0 25 26 1 1 0 0 0 25 40 1 0 0 0 0 26 41 1 0 0 0 0 26 42 1 0 0 0 0 27 29 1 0 0 0 0 28 45 1 0 0 0 0 29 30 2 0 0 0 0 31 46 1 0 0 0 0 32 33 1 0 0 0 0 32 34 1 0 0 0 0 32 50 1 0 0 0 0 32 51 1 0 0 0 0 33 35 1 0 0 0 0 33 52 1 0 0 0 0 33 53 1 0 0 0 0 34 36 1 0 0 0 0 34 54 1 0 0 0 0 34 55 1 0 0 0 0 35 56 1 0 0 0 0 35 57 1 0 0 0 0 36 58 1 0 0 0 0 36 59 1 0 0 0 0 36 60 1 0 0 0 0 M END > 71507522 > 1 > 888 > 17 > 6 > 13 > AAADceBzvAMAAAAAAAAAAAAAAAAAAWJAAAAsAAAAAAAAAFgB+AAAHgAQCCAACBzhlwYH8L9MFxCgQQZhZICAgC0REKABUCAoVBCDWAJAyEAeRAgPAALTACDwMAIAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA== > [[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl] [hydroxy(pentoxy)phosphoryl] hydrogen phosphate > [[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-2-oxolanyl]methoxy-hydroxyphosphoryl] [hydroxy(pentoxy)phosphoryl] hydrogen phosphate > [[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] [hydroxy(pentoxy)phosphoryl] hydrogen phosphate > [[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] [hydroxy(pentoxy)phosphoryl] hydrogen phosphate > [[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [oxidanyl(pentoxy)phosphoryl] hydrogen phosphate > [[(2R,3S,4R,5R)-5-adenin-9-yl-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl] [amoxy(hydroxy)phosphoryl] hydrogen phosphate > InChI=1S/C15H26N5O13P3/c1-2-3-4-5-29-34(23,24)32-36(27,28)33-35(25,26)30-6-9-11(21)12(22)15(31-9)20-8-19-10-13(16)17-7-18-14(10)20/h7-9,11-12,15,21-22H,2-6H2,1H3,(H,23,24)(H,25,26)(H,27,28)(H2,16,17,18)/t9-,11-,12-,15-/m1/s1 > SUQZSZIZAZFXPJ-SDBHATRESA-N > -3.4 > 577.07399689 > C15H26N5O13P3 > 577.31 > CCCCCOP(=O)(O)OP(=O)(O)OP(=O)(O)OCC1C(C(C(O1)N2C=NC3=C(N=CN=C32)N)O)O > CCCCCOP(=O)(O)OP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=NC3=C(N=CN=C32)N)O)O > 268 > 577.07399689 > 0 > 36 > 4 > 0 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 24 17 5 17 27 8 17 28 8 18 28 8 18 29 8 19 27 8 19 31 8 20 30 8 20 31 8 25 26 5 27 29 8 29 30 8 22 5 6 23 6 6 $$$$