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B86

Summary
Name:2'-deoxy-5-fluorocytidine
Formula:C9 H12 F N3 O4
Formal charge:0
Formula weight:245.208 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs11.022'-deoxy-5-fluorocytidine
OpenEye OEToolkits1.6.14-azanyl-5-fluoro-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs11.02FC=1C(=NC(=O)N(C=1)C2OC(C(O)C2)CO)N
SMILES_CANONICALCACTVS3.352NC1=NC(=O)N(C=C1F)[C@H]2C[C@H](O)[C@@H](CO)O2
SMILESCACTVS3.352NC1=NC(=O)N(C=C1F)[CH]2C[CH](O)[CH](CO)O2
SMILES_CANONICALOpenEye OEToolkits1.7.0C1[C@@H]([C@H](O[C@H]1N2C=C(C(=NC2=O)N)F)CO)O
SMILESOpenEye OEToolkits1.7.0C1C(C(OC1N2C=C(C(=NC2=O)N)F)CO)O
InChIInChI1.03InChI=1S/C9H12FN3O4/c10-4-2-13(9(16)12-8(4)11)7-1-5(15)6(3-14)17-7/h2,5-7,14-15H,1,3H2,(H2,11,12,16)/t5-,6+,7+/m0/s1
InChIKeyInChI1.03IDYKCXHJJGMAEV-RRKCRQDMSA-N

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PDB entries from 2025-12-31

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