2'-Deoxy-5-trifluoromethyluridine

• Catalog: OFC70008
• CAS: 70-00-8
• Category: Fluorinated Pyrimidines
• Synonyms: Trifluridine; Trifluorothymidine; 1-(2-Deoxy-beta-D-ribofuranosyl)-5-(trifluoromethyl)uracil
• Purity: 98%
• MDL Number: MFCD00006534

• IUPAC Name: 1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-(trifluoromethyl)pyrimidine-2,4-dione
• InChI: InChI=1S/C10H11F3N2O5/c11-10(12,13)4-2-15(9(19)14-8(4)18)7-1-5(17)6(3-16)20-7/h2,5-7,16-17H,1,3H2,(H,14,18,19)/t5-,6+,7+/m0/s1
• InChI Key: VSQQQLOSPVPRAZ-RRKCRQDMSA-N
• Isomeric SMILES: C1[C@@H]([C@H](O[C@H]1N2C=C(C(=O)NC2=O)C(F)(F)F)CO)O

• Molecular Formula: C10H11F3N2O5
• Molecular Weight: 296.20
• Melting Point: 190-193 °C

• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 2
• Exact Mass: 296.06200594 g/mol
• Monoisotopic Mass: 296.06200594 g/mol
• Topological Polar Surface Area: 99.1Ų
• Heavy Atom Count: 20
• Formal Charge: 0
• Complexity: 464