5-Fluoro-2'-deoxycytidine
4-amino-5-fluoro-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one
Molecular Identity
5-Fluoro-2'-deoxycytidine
4-amino-5-fluoro-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one
PubChem CID: 515328
5-Fluoro-2'-deoxycytidine is an organohalogen compound and a member of pyrimidines.
2D Structure
Properties
C9H12FN3O4
Molecular Formula
245.21
Molecular Weight
g/mol
245.0812
Exact Mass
Da
-1.5
XLogP
Drug-like (Lipinski: < 5)
108
TPSA
Good oral absorption (< 140 A²)
3
H-Bond Donors
5
H-Bond Acceptors
398
Complexity
SMILES
Canonical SMILES
SMILES: C1C(C(OC1N2C=C(C(=NC2=O)N)F)CO)OIsomeric SMILES
SMILES: C1[C@@H]([C@H](O[C@H]1N2C=C(C(=NC2=O)N)F)CO)OSynonyms(20)
10356-76-05-FLUORO-2'-DEOXYCYTIDINE2'-Deoxy-5-fluorocytidine5-FluorodeoxycytidineFdCydFCdR5-Fluoro-2-deoxycytidineCytidine, 2'-deoxy-5-fluoro-NSC-48006Ro 5-1090KUA4693H5WDTXSID2030437RO-5-10904-amino-5-fluoro-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-1,2-dihydropyrimidin-2-oneNSC48006
Data from PubChem (NCBI)
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Drug Network
Trials and conditions connected to 5-Fluoro-2'-deoxycytidine
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