3'-Adenylic acid hydrate (1:1)
[CAS# 699012-36-7]

Identification

• Name: 3'-Adenylic acid hydrate (1:1)
• Synonyms: (−)-Adenosine 3′-monophosphate hydrate; 3′-Adenylic acid
• Molecular Formula: C₁₀H₁₆N₅O₈P
• Molecular Weight: 365.24
• CAS Registry Number: 699012-36-7
• SMILES: O=P(O)(O)O[C@@H]3[C@H](O[C@@H](n2cnc1c(ncnc12)N)[C@@H]3O)CO.O
• InChI: 1S/C10H14N5O7P.H2O/c11-8-5-9(13-2-12-8)15(3-14-5)10-6(17)7(4(1-16)21-10)22-23(18,19)20;/h2-4,6-7,10,16-17H,1H2,(H2,11,12,13)(H2,18,19,20);1H2/t4-,6-,7-,10-;/m1./s1
• InChIKey: HAWIDQLWSQBRQS-MCDZGGTQSA-N

Properties

• Boiling point: 884.4°C at 760 mmHg (Cal.)
• Flash point: 488.7°C (Cal.)
• Refractive index: (Cal.)