[1-(6-Aminopurin-9-Yl)-3-Fluoropropan-2-Yl]Oxymethylphosphonic Acid
[CAS# 135295-27-1]

Identification

• Name: [1-(6-Aminopurin-9-Yl)-3-Fluoropropan-2-Yl]Oxymethylphosphonic Acid
• Synonyms: [1-[(6-Aminopurin-9-Yl)Methyl]-2-Fluoro-Ethoxy]Methylphosphonic Acid; [1-[(6-Amino-9-Purinyl)Methyl]-2-Fluoroethoxy]Methylphosphonic Acid; [1-(6-Aminopurin-9-Yl)-3-Fluoro-Propan-2-Yl]Oxymethylphosphonic Acid
• Molecular Formula: C₉H₁₃FN₅O₄P
• Molecular Weight: 305.21
• CAS Registry Number: 135295-27-1
• SMILES: C1=NC2=C([N]1CC(OC[P](=O)(O)O)CF)N=CN=C2N
• InChI: 1S/C9H13FN5O4P/c10-1-6(19-5-20(16,17)18)2-15-4-14-7-8(11)12-3-13-9(7)15/h3-4,6H,1-2,5H2,(H2,11,12,13)(H2,16,17,18)
• InChIKey: BFZJTDBFUROXJA-UHFFFAOYSA-N

Properties

• Density: 1.862g/cm³ (Cal.)
• Boiling point: 646.756°C at 760 mmHg (Cal.)
• Flash point: 344.946°C (Cal.)