Acetyl Adenylate
[CAS# 13015-87-7]

Identification

• Name: Acetyl Adenylate
• Synonyms: [[(2R,3S,4R,5R)-5-(6-Aminopurin-9-Yl)-3,4-Dihydroxy-Tetrahydrofuran-2-Yl]Methoxy-Hydroxy-Phosphoryl] Acetate; Acetic Acid [[(2R,3S,4R,5R)-5-(6-Amino-9-Purinyl)-3,4-Dihydroxy-2-Tetrahydrofuranyl]Methoxy-Hydroxyphosphoryl] Ester; Acetic Acid [[(2R,3S,4R,5R)-5-(6-Aminopurin-9-Yl)-3,4-Dihydroxy-Tetrahydrofuran-2-Yl]Methoxy-Hydroxy-Phosphoryl] Ester
• Molecular Formula: C₁₂H₁₆N₅O₈P
• Molecular Weight: 389.26
• CAS Registry Number: 13015-87-7
• SMILES: [C@H]1(O[C@@H]([C@@H](O)[C@H]1O)CO[P](OC(=O)C)(=O)O)[N]2C3=C(N=C2)C(=NC=N3)N
• InChI: 1S/C12H16N5O8P/c1-5(18)25-26(21,22)23-2-6-8(19)9(20)12(24-6)17-4-16-7-10(13)14-3-15-11(7)17/h3-4,6,8-9,12,19-20H,2H2,1H3,(H,21,22)(H2,13,14,15)/t6-,8-,9-,12-/m1/s1
• InChIKey: UBPVOHPZRZIJHM-WOUKDFQISA-N

Properties

• Density: 2.077g/cm³ (Cal.)
• Boiling point: 739.275°C at 760 mmHg (Cal.)
• Flash point: 400.899°C (Cal.)