4-Tolyloxycarbonyl-2-Ethyl Adenosine Monophosphate
[CAS# 125882-88-4]

Identification

• Name: 4-Tolyloxycarbonyl-2-Ethyl Adenosine Monophosphate
• Synonyms: (4-Methylphenyl) 3-[[(2R,3S,4R,5R)-5-(6-Aminopurin-9-Yl)-3,4-Dihydroxy-Tetrahydrofuran-2-Yl]Methoxy-Hydroxy-Phosphoryl]Oxypropanoate; 3-[[(2R,3S,4R,5R)-5-(6-Amino-9-Purinyl)-3,4-Dihydroxy-2-Tetrahydrofuranyl]Methoxy-Hydroxyphosphoryl]Oxypropanoic Acid (4-Methylphenyl) Ester; 3-[[(2R,3S,4R,5R)-5-(6-Aminopurin-9-Yl)-3,4-Dihydroxy-Tetrahydrofuran-2-Yl]Methoxy-Hydroxy-Phosphoryl]Oxypropionic Acid (4-Methylphenyl) Ester
• Molecular Formula: C₂₀H₂₄N₅O₉P
• Molecular Weight: 509.41
• CAS Registry Number: 125882-88-4
• SMILES: [C@H]1(O[C@@H]([C@@H](O)[C@H]1O)CO[P](OCCC(OC2=CC=C(C=C2)C)=O)(=O)O)[N]3C4=C(N=C3)C(=NC=N4)N
• InChI: 1S/C20H24N5O9P/c1-11-2-4-12(5-3-11)33-14(26)6-7-31-35(29,30)32-8-13-16(27)17(28)20(34-13)25-10-24-15-18(21)22-9-23-19(15)25/h2-5,9-10,13,16-17,20,27-28H,6-8H2,1H3,(H,29,30)(H2,21,22,23)/t13-,16-,17-,20-/m1/s1
• InChIKey: WWPDJOVDMBVAGM-AEVYOOLXSA-N

Properties

• Density: 1.734g/cm³ (Cal.)
• Boiling point: 813.782°C at 760 mmHg (Cal.)
• Flash point: 445.959°C (Cal.)