7-(6-Deoxy-beta-D-Allofuranosyl)Hypoxanthine
[CAS# 85421-85-8]

Identification

• Name: 7-(6-Deoxy-beta-D-Allofuranosyl)Hypoxanthine
• Synonyms: 7-[(2R,3R,4S,5R)-3,4-Dihydroxy-5-(1-Hydroxyethyl)Tetrahydrofuran-2-Yl]-3H-Purin-6-One; 7-[(2R,3R,4S,5R)-3,4-Dihydroxy-5-(1-Hydroxyethyl)-2-Tetrahydrofuranyl]-3H-Purin-6-One; 6H-Purin-6-One, 7-(6-Deoxy-Beta-D-Allofuranosyl)-1,7-Dihydro-
• Molecular Formula: C₁₁H₁₄N₄O₅
• Molecular Weight: 282.26
• CAS Registry Number: 85421-85-8
• SMILES: [C@@H]1(O)[C@H](O)[C@H](O[C@H]1[N]2C3=C(N=C2)NC=NC3=O)[C@@H](C)O
• InChI: 1S/C11H14N4O5/c1-4(16)8-6(17)7(18)11(20-8)15-3-14-9-5(15)10(19)13-2-12-9/h2-4,6-8,11,16-18H,1H3,(H,12,13,19)/t4-,6+,7-,8-,11-/m1/s1
• InChIKey: DQHCWWAARZMHKW-RWONEVQGSA-N

Properties

• Density: 1.962g/cm³ (Cal.)
• Boiling point: 702.279°C at 760 mmHg (Cal.)
• Flash point: 378.525°C (Cal.)