44357303 -OEChem-04252409382D 58 61 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 5.9405 0.5075 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 3.4026 1.0119 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 14.5328 0.2681 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 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 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 4.6783 -0.7504 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 13.7006 2.7183 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 4.9917 1.8182 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.4026 1.0102 0.0000 C 0 0 3 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 4.9889 0.2002 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.8337 2.2198 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.0400 1.2413 0.0000 C 0 0 0 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 14.0343 1.1350 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 14.4426 2.0479 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9209 2.6281 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 5.4309 2.2558 0.0000 H 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 6.4942 1.2251 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 12.8024 2.8390 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.4233 1.1775 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0389 0.6213 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 14.6535 1.1664 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.9790 1.7370 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.8079 2.5488 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.7665 3.3348 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.2685 3.1415 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4757 3.0596 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 3.0935 1.5494 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 15.1528 0.2671 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 8.8084 0.8960 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 10.2428 3.8651 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 6 1 0 0 0 0 1 9 1 0 0 0 0 1 10 1 0 0 0 0 1 11 2 0 0 0 0 2 8 1 0 0 0 0 2 9 1 0 0 0 0 2 12 1 0 0 0 0 2 13 2 0 0 0 0 3 22 1 0 0 0 0 3 23 1 0 0 0 0 20 4 1 1 0 0 0 4 50 1 0 0 0 0 5 21 1 0 0 0 0 5 51 1 0 0 0 0 6 26 1 0 0 0 0 7 27 1 0 0 0 0 7 53 1 0 0 0 0 8 29 1 0 0 0 0 10 55 1 0 0 0 0 12 58 1 0 0 0 0 23 14 1 1 0 0 0 14 30 1 0 0 0 0 14 31 1 0 0 0 0 15 24 1 0 0 0 0 15 28 1 0 0 0 0 15 47 1 0 0 0 0 16 31 2 0 0 0 0 16 32 1 0 0 0 0 17 30 2 0 0 0 0 17 34 1 0 0 0 0 18 33 1 0 0 0 0 18 34 2 0 0 0 0 19 33 1 0 0 0 0 19 56 1 0 0 0 0 19 57 1 0 0 0 0 20 21 1 0 0 0 0 20 22 1 0 0 0 0 20 35 1 0 0 0 0 21 23 1 0 0 0 0 21 36 1 0 0 0 0 22 26 1 1 0 0 0 22 37 1 0 0 0 0 23 38 1 0 0 0 0 24 25 1 0 0 0 0 24 29 1 1 0 0 0 24 39 1 0 0 0 0 25 27 1 0 0 0 0 25 40 1 0 0 0 0 25 41 1 0 0 0 0 26 42 1 0 0 0 0 26 43 1 0 0 0 0 27 28 1 0 0 0 0 27 44 1 0 0 0 0 28 45 1 0 0 0 0 28 46 1 0 0 0 0 29 48 1 0 0 0 0 29 49 1 0 0 0 0 30 32 1 0 0 0 0 31 52 1 0 0 0 0 32 33 2 0 0 0 0 34 54 1 0 0 0 0 M END > 44357303 > 1 > 815 > 16 > 7 > 9 > AAADceBzvAMAAAAAAAAAAAAAAAAAAWLEgAAsAAAAAAAAAFgB+AAAHgAQCCAACDzhlwYF8L/MFxCgQQZhZICAgC0REKABUKAoVBCDWAJAyEAeRAgPEALTACDwMAIAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA== > [[(2R,3R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl] [(2S)-4-hydroxypyrrolidin-2-yl]methyl hydrogen phosphate > [[(2R,3R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-2-oxolanyl]methoxy-hydroxyphosphoryl] [(2S)-4-hydroxy-2-pyrrolidinyl]methyl hydrogen phosphate > [[(2R,3R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] [(2S)-4-hydroxypyrrolidin-2-yl]methyl hydrogen phosphate > [[(2R,3R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] [(2S)-4-hydroxypyrrolidin-2-yl]methyl hydrogen phosphate > [[(2R,3R,5R)-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2S)-4-oxidanylpyrrolidin-2-yl]methyl hydrogen phosphate > [[(2R,3R,5R)-5-adenin-9-yl-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl] [(2S)-4-hydroxypyrrolidin-2-yl]methyl hydrogen phosphate > InChI=1S/C15H24N6O11P2/c16-13-10-14(19-5-18-13)21(6-20-10)15-12(24)11(23)9(31-15)4-30-34(27,28)32-33(25,26)29-3-7-1-8(22)2-17-7/h5-9,11-12,15,17,22-24H,1-4H2,(H,25,26)(H,27,28)(H2,16,18,19)/t7-,8?,9+,11-,12?,15+/m0/s1 > PHEYQOBMMIEFLO-OCRKLCHZSA-N > -7.2 > 526.09782960 > C15H24N6O11P2 > 526.33 > C1C(CNC1COP(=O)(O)OP(=O)(O)OCC2C(C(C(O2)N3C=NC4=C(N=CN=C43)N)O)O)O > C1[C@H](NCC1O)COP(=O)(O)OP(=O)(O)OC[C@@H]2[C@@H](C([C@@H](O2)N3C=NC4=C(N=CN=C43)N)O)O > 254 > 526.09782960 > 0 > 34 > 4 > 2 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 23 14 5 14 30 8 14 31 8 16 31 8 16 32 8 17 30 8 17 34 8 18 33 8 18 34 8 22 26 5 24 29 5 30 32 8 32 33 8 20 4 5 21 5 3 27 7 3 $$$$