2'-Deoxy-2'-fluorocytidine
4-amino-1-[(2R,3R,4R,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one
Molecular Identity
2'-Deoxy-2'-fluorocytidine
4-amino-1-[(2R,3R,4R,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one
PubChem CID: 101507
2'-Deoxy-2'-fluorocytidine is a hydroxypyrimidine.
2D Structure
Properties
C9H12FN3O4
Molecular Formula
245.21
Molecular Weight
g/mol
245.0812
Exact Mass
Da
-1.1
XLogP
Drug-like (Lipinski: < 5)
108
TPSA
Good oral absorption (< 140 A²)
3
H-Bond Donors
5
H-Bond Acceptors
386
Complexity
SMILES
Canonical SMILES
SMILES: C1=CN(C(=O)N=C1N)C2C(C(C(O2)CO)O)FIsomeric SMILES
SMILES: C1=CN(C(=O)N=C1N)[C@H]2[C@@H]([C@@H]([C@H](O2)CO)O)FSynonyms(20)
2'-Deoxy-2'-fluorocytidine10212-20-12'-Fluoro-2'-deoxycytidineCytidine, 2'-deoxy-2'-fluoro-LCY080JPY9NSC-529432RefChem:803332-Deoxy-2-fluorocytidine4-amino-1-[(2R,3R,4R,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-oneUNII-LCY080JPY9MFCD00057445AKOS0158548424-amino-1-((2R,3R,4R,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl)pyrimidin-2(1H)-oneAS-596914-amino-1-[(2R,3R,4R,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-1,2-dihydropyrimidin-2-one
Data from PubChem (NCBI)
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Drug Network
Trials and conditions connected to 2'-Deoxy-2'-fluorocytidine
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