1-(2,6-Diaminopurin-9-Yl)Propan-2-Yloxymethylphosphonic Acid
[CAS# 147057-10-1]

Identification

• Name: 1-(2,6-Diaminopurin-9-Yl)Propan-2-Yloxymethylphosphonic Acid
• Synonyms: [2-(2,6-Diaminopurin-9-Yl)-1-Methyl-Ethoxy]Methylphosphonic Acid; [2-(2,6-Diamino-9-Purinyl)-1-Methylethoxy]Methylphosphonic Acid; (((1R)-2-(2,6-Diamino-9H-Purin-9-Yl)-1-Methylethoxy)Methyl)Phosphonic Acid
• Molecular Formula: C₉H₁₅N₆O₄P
• Molecular Weight: 302.23
• CAS Registry Number: 147057-10-1
• SMILES: C1=NC2=C([N]1CC(OC[P](O)(O)=O)C)N=C(N=C2N)N
• InChI: 1S/C9H15N6O4P/c1-5(19-4-20(16,17)18)2-15-3-12-6-7(10)13-9(11)14-8(6)15/h3,5H,2,4H2,1H3,(H2,16,17,18)(H4,10,11,13,14)
• InChIKey: LWEKFDHXJHJYGB-UHFFFAOYSA-N

Properties

• Density: 1.926g/cm³ (Cal.)
• Boiling point: 723.188°C at 760 mmHg (Cal.)
• Flash point: 391.17°C (Cal.)