9-(3-Methyl-3-Deoxy-beta-D-Allofuranosyl)-9H-Purin-6-Amine
[CAS# 26291-78-1]

Identification

• Name: 9-(3-Methyl-3-Deoxy-beta-D-Allofuranosyl)-9H-Purin-6-Amine
• Synonyms: 1-[5-(6-Aminopurin-9-Yl)-4-Hydroxy-3-Methyl-Tetrahydrofuran-2-Yl]Ethane-1,2-Diol; 1-[5-(6-Amino-9-Purinyl)-4-Hydroxy-3-Methyl-2-Tetrahydrofuranyl]Ethane-1,2-Diol; 1-[5-(6-Aminopurin-9-Yl)-4-Hydroxy-3-Methyl-Oxolan-2-Yl]Ethane-1,2-Diol
• Molecular Formula: C₁₂H₁₇N₅O₄
• Molecular Weight: 295.30
• CAS Registry Number: 26291-78-1
• SMILES: C1=NC3=C([N]1C2OC(C(CO)O)C(C2O)C)N=CN=C3N
• InChI: 1S/C12H17N5O4/c1-5-8(20)12(21-9(5)6(19)2-18)17-4-16-7-10(13)14-3-15-11(7)17/h3-6,8-9,12,18-20H,2H2,1H3,(H2,13,14,15)
• InChIKey: NTBBDNWBKHVOKO-UHFFFAOYSA-N

Properties

• Density: 1.852g/cm³ (Cal.)
• Boiling point: 676.55°C at 760 mmHg (Cal.)
• Flash point: 362.965°C (Cal.)