Valyl Adenylate
[CAS# 52435-65-1]

Identification

• Name: Valyl Adenylate
• Synonyms: [[(2R,3S,4R,5R)-5-(6-Aminopurin-9-Yl)-3,4-Dihydroxy-Tetrahydrofuran-2-Yl]Methoxy-Hydroxy-Phosphoryl] (2S)-2-Amino-3-Methyl-Butanoate; (2S)-2-Amino-3-Methylbutanoic Acid [[(2R,3S,4R,5R)-5-(6-Amino-9-Purinyl)-3,4-Dihydroxy-2-Tetrahydrofuranyl]Methoxy-Hydroxyphosphoryl] Ester; (2S)-2-Amino-3-Methyl-Butyric Acid [[(2R,3S,4R,5R)-5-(6-Aminopurin-9-Yl)-3,4-Dihydroxy-Tetrahydrofuran-2-Yl]Methoxy-Hydroxy-Phosphoryl] Ester
• Molecular Formula: C₁₅H₂₃N₆O₈P
• Molecular Weight: 446.36
• CAS Registry Number: 52435-65-1
• SMILES: [C@H]1(O[C@@H]([C@@H](O)[C@H]1O)CO[P](OC(=O)[C@@H](N)C(C)C)(=O)O)[N]2C3=C(N=C2)C(=NC=N3)N
• InChI: 1S/C15H23N6O8P/c1-6(2)8(16)15(24)29-30(25,26)27-3-7-10(22)11(23)14(28-7)21-5-20-9-12(17)18-4-19-13(9)21/h4-8,10-11,14,22-23H,3,16H2,1-2H3,(H,25,26)(H2,17,18,19)/t7-,8+,10-,11-,14-/m1/s1
• InChIKey: KAVINRUMCQFLGF-NIXGFCADSA-N

Properties

• Density: 1.929g/cm³ (Cal.)
• Boiling point: 747.721°C at 760 mmHg (Cal.)
• Flash point: 406.007°C (Cal.)