1-(3,5-Di-O-acetyl-2-deoxy-beta-D-erythro-pentofuranosyl)-5-methyl-4-(1,2,4-triazol-1-yl)-2(1H)-pyrimidinone
[CAS# 80991-41-9]

Identification

• Name: 1-(3,5-Di-O-acetyl-2-deoxy-beta-D-erythro-pentofuranosyl)-5-methyl-4-(1,2,4-triazol-1-yl)-2(1H)-pyrimidinone
• Synonyms: [(2R,3S,5R)-2-(Acetoxymethyl)-5-[5-Methyl-2-Oxo-4-(1,2,4-Triazol-1-Yl)Pyrimidin-1-Yl]Tetrahydrofuran-3-Yl] Acetate; Acetic Acid [(2R,3S,5R)-2-(Acetoxymethyl)-5-[5-Methyl-2-Oxo-4-(1,2,4-Triazol-1-Yl)-1-Pyrimidinyl]-3-Tetrahydrofuranyl] Ester; Acetic Acid [(2R,3S,5R)-2-(Acetoxymethyl)-5-[2-Keto-5-Methyl-4-(1,2,4-Triazol-1-Yl)Pyrimidin-1-Yl]Tetrahydrofuran-3-Yl] Ester
• Molecular Formula: C₁₆H₁₉N₅O₆
• Molecular Weight: 377.36
• CAS Registry Number: 80991-41-9
• SMILES: [C@H]1(O[C@@H]([C@@H](OC(=O)C)C1)COC(=O)C)N3C(=O)N=C([N]2N=CN=C2)C(=C3)C
• InChI: 1S/C16H19N5O6/c1-9-5-20(16(24)19-15(9)21-8-17-7-18-21)14-4-12(26-11(3)23)13(27-14)6-25-10(2)22/h5,7-8,12-14H,4,6H2,1-3H3/t12-,13+,14+/m0/s1
• InChIKey: CPXMZBUOUUNODF-BFHYXJOUSA-N

Properties

• Density: 1.516g/cm³ (Cal.)
• Boiling point: 578.095°C at 760 mmHg (Cal.)
• Flash point: 303.421°C (Cal.)