[[2-[(2-Amino-6-Oxo-3H-Purin-9-Yl)Methoxy]Ethoxy-Hydroxy-Phosphoryl]Oxy-Hydroxy-Phosphoryl]Oxyphosphonic Acid
[CAS# 72235-82-6]

Identification

• Name: [[2-[(2-Amino-6-Oxo-3H-Purin-9-Yl)Methoxy]Ethoxy-Hydroxy-Phosphoryl]Oxy-Hydroxy-Phosphoryl]Oxyphosphonic Acid
• Synonyms: 2-[(2-Amino-6-Oxo-3H-Purin-9-Yl)Methoxy]Ethyl (Hydroxy-Phosphonooxy-Phosphoryl) Hydrogen Phosphate; 2-[(2-Amino-6-Keto-3H-Purin-9-Yl)Methoxy]Ethyl (Hydroxy-Phosphonooxy-Phosphoryl) Hydrogen Phosphate; Triphosphoric Acid, Mono[2-[(2-Amino-3,6-Dihydro-6-Oxo-9H-Purin-9-Yl)Methoxy]Ethyl] Ester
• Molecular Formula: C₈H₁₄N₅O₁₂P₃
• Molecular Weight: 465.15
• CAS Registry Number: 72235-82-6 (66341-18-2)
• SMILES: C2=NC1=C(NC(=NC1=O)N)[N]2COCCO[P](O)(=O)O[P](=O)(O)O[P](O)(=O)O
• InChI: 1S/C8H14N5O12P3/c9-8-11-6-5(7(14)12-8)10-3-13(6)4-22-1-2-23-27(18,19)25-28(20,21)24-26(15,16)17/h3H,1-2,4H2,(H,18,19)(H,20,21)(H2,15,16,17)(H3,9,11,12,14)
• InChIKey: AYWLSIKEOSXJLA-UHFFFAOYSA-N

Properties

• Density: 2.428g/cm³ (Cal.)
• Boiling point: 881.36°C at 760 mmHg (Cal.)
• Flash point: 486.829°C (Cal.)