8-[(3R,4S,5R)-3,4-Dihydroxy-5-(Hydroxymethyl)Oxolan-2-Yl]-1,3-Dimethyl-7H-Purine-2,6-Dione
[CAS# 3001-44-3]

Identification

• Name: 8-[(3R,4S,5R)-3,4-Dihydroxy-5-(Hydroxymethyl)Oxolan-2-Yl]-1,3-Dimethyl-7H-Purine-2,6-Dione
• Synonyms: 8-[(3R,4S,5R)-3,4-Dihydroxy-5-(Hydroxymethyl)Tetrahydrofuran-2-Yl]-1,3-Dimethyl-7H-Purine-2,6-Dione; 8-[(3R,4S,5R)-3,4-Dihydroxy-5-(Hydroxymethyl)-2-Tetrahydrofuranyl]-1,3-Dimethyl-7H-Purine-2,6-Dione; 8-[(3R,4S,5R)-3,4-Dihydroxy-5-Methylol-Tetrahydrofuran-2-Yl]-1,3-Dimethyl-7H-Purine-2,6-Quinone
• Molecular Formula: C₁₂H₁₆N₄O₆
• Molecular Weight: 312.28
• CAS Registry Number: 3001-44-3
• SMILES: [C@@H]3(C(C1=NC2=C([NH]1)C(N(C(N2C)=O)C)=O)O[C@@H]([C@H]3O)CO)O
• InChI: 1S/C12H16N4O6/c1-15-10-5(11(20)16(2)12(15)21)13-9(14-10)8-7(19)6(18)4(3-17)22-8/h4,6-8,17-19H,3H2,1-2H3,(H,13,14)/t4-,6-,7-,8?/m1/s1
• InChIKey: FMYDMYVPLRERKJ-ZRTZXPPTSA-N

Properties

• Density: 1.644g/cm³ (Cal.)
• Boiling point: 728.078°C at 760 mmHg (Cal.)
• Flash point: 394.128°C (Cal.)