[(2S,6S)-2-(1,3-Dimethyl-2,6-Dioxopurin-7-Yl)-6-Methyl-3-Oxo-6H-Pyran-4-Yl] Acetate
[CAS# 39848-20-9]

Identification

• Name: [(2S,6S)-2-(1,3-Dimethyl-2,6-Dioxopurin-7-Yl)-6-Methyl-3-Oxo-6H-Pyran-4-Yl] Acetate
• Synonyms: [(2S,6S)-2-(1,3-Dimethyl-2,6-Dioxo-Purin-7-Yl)-6-Methyl-3-Oxo-6H-Pyran-4-Yl] Acetate; Acetic Acid [(2S,6S)-2-(1,3-Dimethyl-2,6-Dioxo-7-Purinyl)-6-Methyl-3-Oxo-6H-Pyran-4-Yl] Ester; Acetic Acid [(2S,6S)-2-(2,6-Diketo-1,3-Dimethyl-Purin-7-Yl)-3-Keto-6-Methyl-6H-Pyran-4-Yl] Ester
• Molecular Formula: C₁₅H₁₆N₄O₆
• Molecular Weight: 348.31
• CAS Registry Number: 39848-20-9
• SMILES: [C@@H]3([N]1C2=C(N=C1)N(C(=O)N(C2=O)C)C)C(C(=C[C@@H](O3)C)OC(C)=O)=O
• InChI: 1S/C15H16N4O6/c1-7-5-9(25-8(2)20)11(21)14(24-7)19-6-16-12-10(19)13(22)18(4)15(23)17(12)3/h5-7,14H,1-4H3/t7-,14-/m0/s1
• InChIKey: WQGGKSUUUHJGPM-WJWGPLDTSA-N

Properties

• Density: 1.553g/cm³ (Cal.)
• Boiling point: 647.266°C at 760 mmHg (Cal.)
• Flash point: 345.254°C (Cal.)