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C37

Summary
Name:5-FLUORO-2'-DEOXY-CYTIDINE-5'-MONOPHOSPHATE
Formula:C9 H13 F N3 O7 P
Formal charge:0
Formula weight:325.188 Da
Component type:DNA LINKING

Chemical Identifiers

ProgramVersionName
ACDLabs10.042'-deoxy-5-fluorocytidine 5'-(dihydrogen phosphate)
OpenEye OEToolkits1.5.0[(2R,3S,5R)-5-(4-amino-5-fluoro-2-oxo-pyrimidin-1-yl)-3-hydroxy-oxolan-2-yl]methyl dihydrogen phosphate

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs10.04FC=1C(=NC(=O)N(C=1)C2OC(C(O)C2)COP(=O)(O)O)N
SMILES_CANONICALCACTVS3.341NC1=NC(=O)N(C=C1F)[C@H]2C[C@H](O)[C@@H](CO[P](O)(O)=O)O2
SMILESCACTVS3.341NC1=NC(=O)N(C=C1F)[CH]2C[CH](O)[CH](CO[P](O)(O)=O)O2
SMILES_CANONICALOpenEye OEToolkits1.5.0C1[C@@H]([C@H](O[C@H]1N2C=C(C(=NC2=O)N)F)COP(=O)(O)O)O
SMILESOpenEye OEToolkits1.5.0C1C(C(OC1N2C=C(C(=NC2=O)N)F)COP(=O)(O)O)O
InChIInChI1.03InChI=1S/C9H13FN3O7P/c10-4-2-13(9(15)12-8(4)11)7-1-5(14)6(20-7)3-19-21(16,17)18/h2,5-7,14H,1,3H2,(H2,11,12,15)(H2,16,17,18)/t5-,6+,7+/m0/s1
InChIKeyInChI1.03OPBLKWSMVCXQNV-RRKCRQDMSA-N

217705

PDB entries from 2024-03-27

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