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5F1

Summary
Name:5'-FLUORO-2',5'-DIDEOXYADENOSINE
Formula:C10 H12 F N5 O2
Formal charge:0
Formula weight:253.233 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs10.042',5'-dideoxy-5'-fluoroadenosine
OpenEye OEToolkits1.5.0(2S,3S,5R)-5-(6-aminopurin-9-yl)-2-(fluoromethyl)oxolan-3-ol

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs10.04FCC3OC(n2cnc1c(ncnc12)N)CC3O
SMILES_CANONICALCACTVS3.341Nc1ncnc2n(cnc12)[C@H]3C[C@H](O)[C@@H](CF)O3
SMILESCACTVS3.341Nc1ncnc2n(cnc12)[CH]3C[CH](O)[CH](CF)O3
SMILES_CANONICALOpenEye OEToolkits1.5.0c1nc(c2c(n1)n(cn2)[C@H]3C[C@@H]([C@H](O3)CF)O)N
SMILESOpenEye OEToolkits1.5.0c1nc(c2c(n1)n(cn2)C3CC(C(O3)CF)O)N
InChIInChI1.03InChI=1S/C10H12FN5O2/c11-2-6-5(17)1-7(18-6)16-4-15-8-9(12)13-3-14-10(8)16/h3-7,17H,1-2H2,(H2,12,13,14)/t5-,6+,7+/m0/s1
InChIKeyInChI1.03QKUCDAPGYBWICH-RRKCRQDMSA-N

223166

PDB entries from 2024-07-31

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