[[(2R,3S,4R,5R)-5-(6-Aminopurin-9-Yl)-3,4-Dihydroxyoxolan-2-Yl]Methoxy-Hydroxyphosphoryl] 2-Aminoacetate
[CAS# 35985-26-3]

Identification

• Name: [[(2R,3S,4R,5R)-5-(6-Aminopurin-9-Yl)-3,4-Dihydroxyoxolan-2-Yl]Methoxy-Hydroxyphosphoryl] 2-Aminoacetate
• Synonyms: [[(2R,3S,4R,5R)-5-(6-Aminopurin-9-Yl)-3,4-Dihydroxy-Tetrahydrofuran-2-Yl]Methoxy-Hydroxy-Phosphoryl] 2-Aminoacetate; 2-Aminoacetic Acid [[(2R,3S,4R,5R)-5-(6-Amino-9-Purinyl)-3,4-Dihydroxy-2-Tetrahydrofuranyl]Methoxy-Hydroxyphosphoryl] Ester; 2-Aminoacetic Acid [[(2R,3S,4R,5R)-5-(6-Aminopurin-9-Yl)-3,4-Dihydroxy-Tetrahydrofuran-2-Yl]Methoxy-Hydroxy-Phosphoryl] Ester
• Molecular Formula: C₁₂H₁₇N₆O₈P
• Molecular Weight: 404.28
• CAS Registry Number: 35985-26-3
• SMILES: [C@H]1(O[C@@H]([C@@H](O)[C@H]1O)CO[P](OC(=O)CN)(=O)O)[N]2C3=C(N=C2)C(=NC=N3)N
• InChI: 1S/C12H17N6O8P/c13-1-6(19)26-27(22,23)24-2-5-8(20)9(21)12(25-5)18-4-17-7-10(14)15-3-16-11(7)18/h3-5,8-9,12,20-21H,1-2,13H2,(H,22,23)(H2,14,15,16)/t5-,8-,9-,12-/m1/s1
• InChIKey: HROXHMRQKGGIFT-JJNLEZRASA-N

Properties

• Density: 2.185g/cm³ (Cal.)
• Boiling point: 769.65°C at 760 mmHg (Cal.)
• Flash point: 419.269°C (Cal.)