3'-Adenylic Acid
[CAS# 84-21-9]

Identification

• Name: 3'-Adenylic Acid
• Synonyms: [(2R,3S,4R,5R)-5-(6-Aminopurin-9-Yl)-4-Hydroxy-2-(Hydroxymethyl)Tetrahydrofuran-3-Yl] Dihydrogen Phosphate; [(2R,3S,4R,5R)-5-(6-Amino-9-Purinyl)-4-Hydroxy-2-(Hydroxymethyl)-3-Tetrahydrofuranyl] Dihydrogen Phosphate; [(2R,3S,4R,5R)-5-(6-Aminopurin-9-Yl)-4-Hydroxy-2-Methylol-Tetrahydrofuran-3-Yl] Dihydrogen Phosphate
• Molecular Formula: C₁₀H₁₄N₅O₇P
• Molecular Weight: 347.22
• CAS Registry Number: 84-21-9
• EINECS: 201-521-8
• SMILES: [C@H]1(O[C@@H]([C@@H](O[P](=O)(O)O)[C@H]1O)CO)[N]2C3=C(N=C2)C(=NC=N3)N
• InChI: 1S/C10H14N5O7P/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)/t4-,6-,7-,10-/m1/s1
• InChIKey: LNQVTSROQXJCDD-KQYNXXCUSA-N

Properties

• Density: 2.32g/cm³ (Cal.)
• Boiling point: 815.453°C at 760 mmHg (Cal.)
• Flash point: 446.97°C (Cal.)