5-FLUORO-2'-DEOXYCYTIDINE

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Keyword(s): Human Metabolites
Molecule Category Free-form
UNII KUA4693H5W
EPA CompTox DTXSID2030437

Structure

InChI Key IDYKCXHJJGMAEV-RRKCRQDMSA-N
Smiles Nc1nc(=O)n([C@H]2C[C@H](O)[C@@H](CO)O2)cc1F
InChI
InChI=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

Physicochemical Descriptors

Property Name Value
Molecular Formula C9H12FN3O4
Molecular Weight 245.08
AlogP -1.15
Hydrogen Bond Acceptor 7.0
Hydrogen Bond Donor 4.0
Number of Rotational Bond 2.0
Polar Surface Area 111.59
Heavy Atoms 17.0

Cross References

Resources Reference
CAS NUMBER 10356-76-0
NORMAN SUSDAT
FDA SRS KUA4693H5W
PubChem 515328
CONTENTS