2-Methyladenosine
[CAS# 16526-56-0]

Identification

• Name: 2-Methyladenosine
• Synonyms: 2-(6-Amino-2-Methyl-Purin-9-Yl)-5-(Hydroxymethyl)Tetrahydrofuran-3,4-Diol; 2-(6-Amino-2-Methyl-9-Purinyl)-5-(Hydroxymethyl)Tetrahydrofuran-3,4-Diol; 2-(6-Amino-2-Methyl-Purin-9-Yl)-5-Methylol-Tetrahydrofuran-3,4-Diol
• Molecular Formula: C₁₁H₁₅N₅O₄
• Molecular Weight: 281.27
• CAS Registry Number: 16526-56-0
• SMILES: C2=NC1=C(N=C(N=C1N)C)[N]2C3OC(CO)C(C3O)O
• InChI: 1S/C11H15N5O4/c1-4-14-9(12)6-10(15-4)16(3-13-6)11-8(19)7(18)5(2-17)20-11/h3,5,7-8,11,17-19H,2H2,1H3,(H2,12,14,15)
• InChIKey: IQZWKGWOBPJWMX-UHFFFAOYSA-N

Properties

• Density: 1.962g/cm³ (Cal.)
• Boiling point: 517.782°C at 760 mmHg (Cal.)
• Flash point: 266.945°C (Cal.)

References

• (1): Philip Prathipati, Ngai Ling Ma* and Thomas H. Keller. Global Bayesian Models for the Prioritization of Antitubercular Agents, J. Chem. Inf. Model., 2008, 48 (12), pp 2362–2370