1-[5-(Fluoromethyl)-3,4-dihydroxyoxolan-2-yl]pyrimidine-2,4-dione
Basic information
- CAS
38817-29-7- Standard SMILES
O=c1ccn(C2OC(CF)C(O)C2O)c(=O)[nH]1- InChIKey
JIWIXZJAAUQOCE-XVFCMESISA-N- Molecular formula
- C9H11FN2O5
- Average molar mass
- 246.19 g/mol
- Monoisotopic mass
- 246.06519962
Names & identifiers
- Preferred name
- 1-[5-(Fluoromethyl)-3,4-dihydroxyoxolan-2-yl]pyrimidine-2,4-dione
- IUPAC
- 1-[5-(fluoromethyl)-3,4-dihydroxyoxolan-2-yl]pyrimidine-2,4-dione
- English name
- 5'-Deoxy-5-fluorouridine
- Molecular formula
- C9H11FN2O5
- Molecular weight
- 246.19
Names & synonyms
1-[5-(fluoromethyl)-3,4-dihydroxyoxolan-2-yl]pyrimidine-2,4-dioneNSC152516DTXSID40959609NSC524310NSC-152516NSC-524310DB-2260661-(5-Deoxy-5-fluoropentofuranosyl)-4-hydroxypyrimidin-2(1H)-one1-[(2R,3R,4S,5S)-5-(fluoromethyl)-3,4-dihydroxy-tetrahydrofuran-2-yl]pyrimidine-2,4-dione81002-69-9
Database identifiers
- CAS
38817-29-7、81002-69-9- PubChem CID
- 289972
- DTXSID
DTXSID40959609
Properties
Computed structural properties
- XLogP
- -1.5
- Topological polar surface area
- 99.1 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 2
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 374
Physicochemical properties
- Melting point
- 189 · 189~191℃
- Density
- 1.601 · 1.601±0.06 g/cm3(Predicted)
- pka
- 9.39 · 9.39±0.10(Predicted)
Chemistry & industry
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