(2R,3S,5R)-2-(Hydroxymethyl)-5-(6-Imino-3-Methylpurin-9-Yl)Oxolan-3-Ol
[CAS# 76227-25-3]

Identification

• Name: (2R,3S,5R)-2-(Hydroxymethyl)-5-(6-Imino-3-Methylpurin-9-Yl)Oxolan-3-Ol
• Synonyms: (2R,3S,5R)-2-(Hydroxymethyl)-5-(6-Imino-3-Methyl-Purin-9-Yl)Tetrahydrofuran-3-Ol; (2R,3S,5R)-2-(Hydroxymethyl)-5-(6-Imino-3-Methyl-9-Purinyl)-3-Tetrahydrofuranol; (2R,3S,5R)-5-(6-Imino-3-Methyl-Purin-9-Yl)-2-Methylol-Tetrahydrofuran-3-Ol
• Molecular Formula: C₁₁H₁₅N₅O₃
• Molecular Weight: 265.27
• CAS Registry Number: 76227-25-3
• SMILES: [C@H]1(O[C@@H]([C@@H](O)C1)CO)[N]2C3=C(N=C2)C(N=CN3C)=N
• InChI: 1S/C11H15N5O3/c1-15-4-14-10(12)9-11(15)16(5-13-9)8-2-6(18)7(3-17)19-8/h4-8,12,17-18H,2-3H2,1H3/t6-,7+,8+/m0/s1
• InChIKey: YUURLDZVDFJHRP-XLPZGREQSA-N

Properties

• Density: 1.743g/cm³ (Cal.)
• Boiling point: 609.691°C at 760 mmHg (Cal.)
• Flash point: 322.53°C (Cal.)

References

• (1): Ali Ebrahimi, Mostafa Habibi-Khorassani and Sophia Bazzi. The impact of protonation and deprotonation of 3-methyl-2′-deoxyadenosine on N-glycosidic bond cleavage, Phys. Chem. Chem. Phys., 2011, 13, 3334.