70582108 -OEChem-03282418172D 34 36 0 1 0 0 0 0 0999 V2000 5.9405 0.6026 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4026 1.1070 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6495 3.1837 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6783 -0.6553 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.6783 -2.2648 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -0.4600 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -1.9600 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -3.4600 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.9889 0.2952 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.4026 1.1052 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.9917 1.9132 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9422 1.6026 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.7523 2.1890 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -0.9600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2619 -1.4600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -1.9600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -2.4600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4595 3.7700 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.9600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4266 -0.1440 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1220 1.6582 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2449 2.4792 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4553 2.2242 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4942 1.3202 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0231 1.6312 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3486 2.3588 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0935 1.6444 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8819 -1.4600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8231 3.2678 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9617 4.1336 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0960 4.2723 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -0.6500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3291 -3.7700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -3.7700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 9 1 0 0 0 0 1 12 1 0 0 0 0 10 2 1 6 0 0 0 2 27 1 0 0 0 0 3 13 1 0 0 0 0 3 18 1 0 0 0 0 9 4 1 1 0 0 0 4 14 1 0 0 0 0 4 15 1 0 0 0 0 5 15 2 0 0 0 0 5 16 1 0 0 0 0 6 14 2 0 0 0 0 6 19 1 0 0 0 0 7 17 1 0 0 0 0 7 19 2 0 0 0 0 8 17 1 0 0 0 0 8 33 1 0 0 0 0 8 34 1 0 0 0 0 9 10 1 0 0 0 0 9 20 1 0 0 0 0 10 11 1 0 0 0 0 10 21 1 0 0 0 0 11 12 1 0 0 0 0 11 22 1 0 0 0 0 11 23 1 0 0 0 0 12 13 1 1 0 0 0 12 24 1 0 0 0 0 13 25 1 0 0 0 0 13 26 1 0 0 0 0 14 16 1 0 0 0 0 15 28 1 0 0 0 0 16 17 2 0 0 0 0 18 29 1 0 0 0 0 18 30 1 0 0 0 0 18 31 1 0 0 0 0 19 32 1 0 0 0 0 M END > 70582108 > 1 > 321 > 7 > 2 > 3 > AAADccBzsAAAAAAAAAAAAAAAAAAAAWJAAAAsAAAAAAAAAFgB+AAAHgAQCAAACBzhlwYH8L9MFgCgAQZhZACAgC0REKABUCAoVBCDWAJAyEAeRAgNAALTACDwMAoAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA== > (2R,3R,5S)-2-(6-aminopurin-9-yl)-5-(methoxymethyl)tetrahydrofuran-3-ol > (2R,3R,5S)-2-(6-aminopurin-9-yl)-5-(methoxymethyl)-3-oxolanol > (2R,3R,5S)-2-(6-aminopurin-9-yl)-5-(methoxymethyl)oxolan-3-ol > (2R,3R,5S)-2-(6-aminopurin-9-yl)-5-(methoxymethyl)oxolan-3-ol > (2R,3R,5S)-2-(6-aminopurin-9-yl)-5-(methoxymethyl)oxolan-3-ol > (2R,3R,5S)-2-adenin-9-yl-5-(methoxymethyl)tetrahydrofuran-3-ol > InChI=1S/C11H15N5O3/c1-18-3-6-2-7(17)11(19-6)16-5-15-8-9(12)13-4-14-10(8)16/h4-7,11,17H,2-3H2,1H3,(H2,12,13,14)/t6-,7+,11+/m0/s1 > JZPZEPJTNZSYLZ-MVKOHCKWSA-N > -0.7 > 265.11748936 > C11H15N5O3 > 265.27 > COCC1CC(C(O1)N2C=NC3=C(N=CN=C32)N)O > COC[C@@H]1C[C@H]([C@@H](O1)N2C=NC3=C(N=CN=C32)N)O > 108 > 265.11748936 > 0 > 19 > 3 > 0 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 12 13 5 14 16 8 16 17 8 10 2 6 4 14 8 4 15 8 9 4 5 5 15 8 5 16 8 6 14 8 6 19 8 7 17 8 7 19 8 $$$$