F01

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Summary

Name:4-amino-1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-fluoro-pyrimidin-2-one
Synonyms:4-amino-5-fluoro-1-((2R,3S,4R,5R)-tetrahydro-3,4-dihydroxy-5-(hydroxymethyl)furan-2-yl)pyrimidin-2(1H)-one
Formula:C9 H12 F N3 O5
Formal charge:0
Molecular weight:261.207 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs10.045-fluorocytidine
OpenEye OEToolkits1.5.04-amino-1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-fluoro-pyrimidin-2-one

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs10.04FC=1C(=NC(=O)N(C=1)C2OC(C(O)C2O)CO)N
SMILES_CANONICALCACTVS3.341NC1=NC(=O)N(C=C1F)[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O
SMILESCACTVS3.341NC1=NC(=O)N(C=C1F)[CH]2O[CH](CO)[CH](O)[CH]2O
SMILES_CANONICALOpenEye OEToolkits1.5.0C1=C(C(=NC(=O)N1[C@H]2[C@@H]([C@@H]([C@H](O2)CO)O)O)N)F
SMILESOpenEye OEToolkits1.5.0C1=C(C(=NC(=O)N1C2C(C(C(O2)CO)O)O)N)F
InChIInChI1.03InChI=1S/C9H12FN3O5/c10-3-1-13(9(17)12-7(3)11)8-6(16)5(15)4(2-14)18-8/h1,4-6,8,14-16H,2H2,(H2,11,12,17)/t4-,5-,6-,8-/m1/s1
InChIKeyInChI1.03STRZQWQNZQMHQR-UAKXSSHOSA-N