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2FA

概要
表記:2-(6-AMINO-2-FLUORO-PURIN-9-YL)-5-HYDROXYMETHYL-TETRAHYDRO-FURAN-3,4-DIOL
別名:2-FLUOROADENOSINE
組成式:C10 H12 F N5 O4
電荷:0
化学式量:285.232 Da
分子種別:NON-POLYMER

化合物名

プログラムバージョン表記
ACDLabs10.042-fluoroadenosine
OpenEye OEToolkits1.5.0(2R,3R,4S,5R)-2-(6-amino-2-fluoro-purin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol

化合物記述子(線形表記)

種別プログラムバージョン表記
SMILESACDLabs10.04Fc1nc(c2ncn(c2n1)C3OC(C(O)C3O)CO)N
SMILES_CANONICALCACTVS3.341Nc1nc(F)nc2n(cnc12)[C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O
SMILESCACTVS3.341Nc1nc(F)nc2n(cnc12)[CH]3O[CH](CO)[CH](O)[CH]3O
SMILES_CANONICALOpenEye OEToolkits1.5.0c1nc2c(nc(nc2n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)F)N
SMILESOpenEye OEToolkits1.5.0c1nc2c(nc(nc2n1C3C(C(C(O3)CO)O)O)F)N
InChIInChI1.03InChI=1S/C10H12FN5O4/c11-10-14-7(12)4-8(15-10)16(2-13-4)9-6(19)5(18)3(1-17)20-9/h2-3,5-6,9,17-19H,1H2,(H2,12,14,15)/t3-,5-,6-,9-/m1/s1
InChIKeyInChI1.03HBUBKKRHXORPQB-UUOKFMHZSA-N

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件を2024-07-10に公開中

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