4-Amino-1-(3,5-Di-O-Benzoyl-2-Deoxy-2,2-Difluoropentofuranosyl)-2(1H)-Pyrimidinone
[CAS# 134790-40-2]

Identification

• Name: 4-Amino-1-(3,5-Di-O-Benzoyl-2-Deoxy-2,2-Difluoropentofuranosyl)-2(1H)-Pyrimidinone
• Synonyms: 1'-Epi Gemcitabine 3',5'-Dibenzoate
• Molecular Formula: C₂₃H₁₉F₂N₃O₆
• Molecular Weight: 471.41
• CAS Registry Number: 134790-40-2
• SMILES: N/C1=N/C(=O)N(/C=C1)C4OC(COC(=O)c2ccccc2)C(OC(=O)c3ccccc3)C4(F)F
• InChI: 1S/C23H19F2N3O6/c24-23(25)18(34-20(30)15-9-5-2-6-10-15)16(13-32-19(29)14-7-3-1-4-8-14)33-21(23)28-12-11-17(26)27-22(28)31/h1-12,16,18,21H,13H2,(H2,26,27,31)
• InChIKey: ZPUUYUUQQGBHBU-UHFFFAOYSA-N

Properties

• Density: 1.459g/cm³ (Cal.)
• Boiling point: 608.383°C at 760 mmHg (Cal.)
• Flash point: 321.739°C (Cal.)
• Refractive index: 1.625 (Cal.)