5'-O-[Hydroxy(2-Methyl-1H-Imidazol-1-Yl)Phosphoryl]Adenosine
[CAS# 31008-65-8]

Identification

• Name: 5'-O-[Hydroxy(2-Methyl-1H-Imidazol-1-Yl)Phosphoryl]Adenosine
• Synonyms: 2-Meimpa; Adenosine 5'-phospho-2-methylimidazolide
• Molecular Formula: C₁₄H₁₈N₇O₆P
• Molecular Weight: 411.31
• CAS Registry Number: 31008-65-8
• SMILES: O=P(O)(OC[C@H]3O[C@@H](n2cnc1c(ncnc12)N)[C@H](O)[C@@H]3O)n4ccnc4C
• InChI: 1S/C14H18N7O6P/c1-7-16-2-3-21(7)28(24,25)26-4-8-10(22)11(23)14(27-8)20-6-19-9-12(15)17-5-18-13(9)20/h2-3,5-6,8,10-11,14,22-23H,4H2,1H3,(H,24,25)(H2,15,17,18)/t8-,10-,11-,14-/m1/s1
• InChIKey: TWGWTXWTQPVUNN-IDTAVKCVSA-N

Properties

• Density: 2.029g/cm³ (Cal.)
• Boiling point: 810.245°C at 760 mmHg (Cal.)
• Flash point: 443.82°C (Cal.)