Mesitoyl-adenosine monophosphate
[CAS# 56004-30-9]

Identification

• Name: Mesitoyl-adenosine monophosphate
• Synonyms: [[(2R,3S,4R,5R)-5-(6-Aminopurin-9-Yl)-3,4-Dihydroxy-Tetrahydrofuran-2-Yl]Methoxy-Hydroxy-Phosphoryl] 2,4,6-Trimethylbenzoate; 2,4,6-Trimethylbenzoic Acid [[(2R,3S,4R,5R)-5-(6-Amino-9-Purinyl)-3,4-Dihydroxy-2-Tetrahydrofuranyl]Methoxy-Hydroxyphosphoryl] Ester; 2,4,6-Trimethylbenzoic Acid [[(2R,3S,4R,5R)-5-(6-Aminopurin-9-Yl)-3,4-Dihydroxy-Tetrahydrofuran-2-Yl]Methoxy-Hydroxy-Phosphoryl] Ester
• Molecular Formula: C₂₀H₂₄N₅O₈P
• Molecular Weight: 493.41
• CAS Registry Number: 56004-30-9
• SMILES: [C@H]1(O[C@@H]([C@@H](O)[C@H]1O)CO[P](OC(=O)C2=C(C=C(C=C2C)C)C)(=O)O)[N]3C4=C(N=C3)C(=NC=N4)N
• InChI: 1S/C20H24N5O8P/c1-9-4-10(2)13(11(3)5-9)20(28)33-34(29,30)31-6-12-15(26)16(27)19(32-12)25-8-24-14-17(21)22-7-23-18(14)25/h4-5,7-8,12,15-16,19,26-27H,6H2,1-3H3,(H,29,30)(H2,21,22,23)/t12-,15-,16-,19-/m1/s1
• InChIKey: VLAMPHFZDHBNCZ-BGIGGGFGSA-N

Properties

• Density: 1.728g/cm³ (Cal.)
• Boiling point: 815.562°C at 760 mmHg (Cal.)
• Flash point: 447.036°C (Cal.)