3-(1,3-Benzodioxole-5-Carbonyl)-5-Fluoro-1-[(2R,4S,5R)-4-Hydroxy-5-(Hydroxymethyl)Oxolan-2-Yl]Pyrimidine-2,4-Dione
[CAS# 74234-11-0]

Identification

• Name: 3-(1,3-Benzodioxole-5-Carbonyl)-5-Fluoro-1-[(2R,4S,5R)-4-Hydroxy-5-(Hydroxymethyl)Oxolan-2-Yl]Pyrimidine-2,4-Dione
• Synonyms: 3-(1,3-Benzodioxole-5-Carbonyl)-5-Fluoro-1-[(2R,4S,5R)-4-Hydroxy-5-(Hydroxymethyl)Tetrahydrofuran-2-Yl]Pyrimidine-2,4-Dione; 3-(1,3-Benzodioxol-5-Yl-Oxomethyl)-5-Fluoro-1-[(2R,4S,5R)-4-Hydroxy-5-(Hydroxymethyl)-2-Tetrahydrofuranyl]Pyrimidine-2,4-Dione; 3-(1,3-Benzodioxole-5-Carbonyl)-5-Fluoro-1-[(2R,4S,5R)-4-Hydroxy-5-Methylol-Tetrahydrofuran-2-Yl]Pyrimidine-2,4-Quinone
• Molecular Formula: C₁₇H₁₅FN₂O₈
• Molecular Weight: 394.31
• CAS Registry Number: 74234-11-0
• SMILES: [C@H]1(O[C@@H]([C@@H](O)C1)CO)N2C(=O)N(C(=O)C(=C2)F)C(=O)C4=CC=C3OCOC3=C4
• InChI: 1S/C17H15FN2O8/c18-9-5-19(14-4-10(22)13(6-21)28-14)17(25)20(16(9)24)15(23)8-1-2-11-12(3-8)27-7-26-11/h1-3,5,10,13-14,21-22H,4,6-7H2/t10-,13+,14+/m0/s1
• InChIKey: RYKZLRXDZMOBHD-ZLKJLUDKSA-N

Properties

• Density: 1.716g/cm³ (Cal.)
• Boiling point: 614.154°C at 760 mmHg (Cal.)
• Flash point: 325.229°C (Cal.)