3-Isoinosine
[CAS# 6835-54-7]

Identification

• Name: 3-Isoinosine
• Synonyms: 3-[(2R,3R,4S,5R)-3,4-Dihydroxy-5-(Hydroxymethyl)Tetrahydrofuran-2-Yl]-7H-Purin-6-One; 3-[(2R,3R,4S,5R)-3,4-Dihydroxy-5-(Hydroxymethyl)-2-Tetrahydrofuranyl]-7H-Purin-6-One; 3-[(2R,3R,4S,5R)-3,4-Dihydroxy-5-Methylol-Tetrahydrofuran-2-Yl]-7H-Purin-6-One
• Molecular Formula: C₁₀H₁₂N₄O₅
• Molecular Weight: 268.23
• CAS Registry Number: 6835-54-7
• SMILES: [C@H]1(O[C@@H]([C@@H](O)[C@H]1O)CO)N3C2=C([NH]C=N2)C(=O)N=C3
• InChI: 1S/C10H12N4O5/c15-1-4-6(16)7(17)10(19-4)14-3-13-9(18)5-8(14)12-2-11-5/h2-4,6-7,10,15-17H,1H2,(H,11,12)/t4-,6-,7-,10-/m1/s1
• InChIKey: ZZHJEOWCHAELGO-KQYNXXCUSA-N

Properties

• Density: 2.085g/cm³ (Cal.)
• Boiling point: 741.588°C at 760 mmHg (Cal.)
• Flash point: 402.298°C (Cal.)