9-[(2R,6R)-4-Fluoro-6-(Hydroxymethyl)-5-Oxo-2H-Pyran-2-Yl]-1,3-Dimethylpurine-2,6-Dione
[CAS# 142270-03-9]

Identification

• Name: 9-[(2R,6R)-4-Fluoro-6-(Hydroxymethyl)-5-Oxo-2H-Pyran-2-Yl]-1,3-Dimethylpurine-2,6-Dione
• Synonyms: 9-[(2R,6R)-4-Fluoro-6-(Hydroxymethyl)-5-Oxo-2H-Pyran-2-Yl]-1,3-Dimethyl-Purine-2,6-Dione; 9-[(2R,6R)-4-Fluoro-5-Keto-6-Methylol-2H-Pyran-2-Yl]-1,3-Dimethyl-Xanthine; 1H-Purine-2,6-Dione, 9-(4-Fluoro-5,6-Dihydro-6-(Hydroxymethyl)-5-Oxo-2H-Pyran-2-Yl)-3,9-Dihydro-1,3-Dimethyl-, (2R-Cis)-
• Molecular Formula: C₁₃H₁₃FN₄O₅
• Molecular Weight: 324.27
• CAS Registry Number: 142270-03-9
• SMILES: [C@H]3([N]1C=NC2=C1N(C(N(C2=O)C)=O)C)C=C(C([C@H](O3)CO)=O)F
• InChI: 1S/C13H13FN4O5/c1-16-11-9(12(21)17(2)13(16)22)15-5-18(11)8-3-6(14)10(20)7(4-19)23-8/h3,5,7-8,19H,4H2,1-2H3/t7-,8-/m1/s1
• InChIKey: XGHISNSPFYANSE-HTQZYQBOSA-N

Properties

• Density: 1.704g/cm³ (Cal.)
• Boiling point: 642.966°C at 760 mmHg (Cal.)
• Flash point: 342.654°C (Cal.)