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2FD

Summary
Name:5-(6-AMINO-2-FLUORO-PURIN-9-YL)-2-HYDROXYMETHYL-TETRAHYDRO-FURAN-3-OL
Synonyms:2-FLUORO-2'-DEOXYADENOSINE
Formula:C10 H12 F N5 O3
Formal charge:0
Formula weight:269.232 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs10.042'-deoxy-2-fluoroadenosine
OpenEye OEToolkits1.5.0(2R,3S,5R)-5-(6-amino-2-fluoro-purin-9-yl)-2-(hydroxymethyl)oxolan-3-ol

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs10.04Fc1nc(c2ncn(c2n1)C3OC(C(O)C3)CO)N
SMILES_CANONICALCACTVS3.341Nc1nc(F)nc2n(cnc12)[C@H]3C[C@H](O)[C@@H](CO)O3
SMILESCACTVS3.341Nc1nc(F)nc2n(cnc12)[CH]3C[CH](O)[CH](CO)O3
SMILES_CANONICALOpenEye OEToolkits1.5.0c1nc2c(nc(nc2n1[C@H]3C[C@@H]([C@H](O3)CO)O)F)N
SMILESOpenEye OEToolkits1.5.0c1nc2c(nc(nc2n1C3CC(C(O3)CO)O)F)N
InChIInChI1.03InChI=1S/C10H12FN5O3/c11-10-14-8(12)7-9(15-10)16(3-13-7)6-1-4(18)5(2-17)19-6/h3-6,17-18H,1-2H2,(H2,12,14,15)/t4-,5+,6+/m0/s1
InChIKeyInChI1.03ZWPYUXAXLRFWQC-KVQBGUIXSA-N

224931

PDB entries from 2024-09-11

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