9-[(2R,3R,4S,5R)-3,4-Dihydroxy-5-(Hydroxymethyl)Oxolan-2-Yl]-1,3-Dimethylpurine-2,6-Dione
[CAS# 3624-44-0]

Identification

• Name: 9-[(2R,3R,4S,5R)-3,4-Dihydroxy-5-(Hydroxymethyl)Oxolan-2-Yl]-1,3-Dimethylpurine-2,6-Dione
• Synonyms: 9-[(2R,3R,4S,5R)-3,4-Dihydroxy-5-(Hydroxymethyl)Tetrahydrofuran-2-Yl]-1,3-Dimethyl-Purine-2,6-Dione; 9-[(2R,3R,4S,5R)-3,4-Dihydroxy-5-(Hydroxymethyl)-2-Tetrahydrofuranyl]-1,3-Dimethylpurine-2,6-Dione; 9-[(2R,3R,4S,5R)-3,4-Dihydroxy-5-Methylol-Tetrahydrofuran-2-Yl]-1,3-Dimethyl-Xanthine
• Molecular Formula: C₁₂H₁₆N₄O₆
• Molecular Weight: 312.28
• CAS Registry Number: 3624-44-0
• SMILES: [C@@H]1(CO)[C@@H](O)[C@@H](O)[C@@H](O1)[N]2C=NC3=C2N(C(N(C3=O)C)=O)C
• InChI: 1S/C12H16N4O6/c1-14-9-6(10(20)15(2)12(14)21)13-4-16(9)11-8(19)7(18)5(3-17)22-11/h4-5,7-8,11,17-19H,3H2,1-2H3/t5-,7-,8-,11-/m1/s1
• InChIKey: KCBJWMSBKDOKRM-IOSLPCCCSA-N

Properties

• Density: 1.853g/cm³ (Cal.)
• Boiling point: 682.994°C at 760 mmHg (Cal.)
• Flash point: 366.862°C (Cal.)