1-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-fluoro-1,2,3,4-tetrahydropyrimidine-2,4-dione

• ChemBase ID: 105022
• Molecular Formular: C9H11FN2O6
• Molecular Mass: 262.1918432
• Monoisotopic Mass: 262.0601143
• SMILES: OCC1OC(C(O)C1O)n1cc(F)c(=O)[nH]c1=O
• Canonical SMILES: OCC1OC(C(C1O)O)n1cc(F)c(=O)[nH]c1=O
• InChI: InChI=1S/C9H11FN2O6/c10-3-1-12(9(17)11-7(3)16)8-6(15)5(14)4(2-13)18-8/h1,4-6,8,13-15H,2H2,(H,11,16,17)
• InChIKey: FHIDNBAQOFJWCA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-fluoro-1,2,3,4-tetrahydropyrimidine-2,4-dione
• IUPAC Traditional name: @5-fluorouridine
• Synonyms: 5-FLUOROURIDINE

Database IDs

• CAS Number: 316-46-1
• EC Number: 206-260-3
• PubChem SID: 162093102
• PubChem CID: 1821

CALCULATED PROPERTIES

• Acid pKa: 7.674215
• H Acceptors: 6
• H Donor: 4
• LogD (pH = 5.5): -2.2186642
• LogD (pH = 7.4): -2.3983889
• Log P: -2.2157993
• Molar Refractivity: 52.768497 cm^3
• Polarizability: 20.810516 Å^3
• Polar Surface Area: 119.33 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Condition: 2-8°C, Store Under Nitrogen
• RTECS: YU8050000