[4-(2-Amino-6-Oxo-3H-Purin-9-Yl)-2-Methylidenebutoxy]Methylphosphonic Acid
[CAS# 176434-89-2]

Identification

• Name: [4-(2-Amino-6-Oxo-3H-Purin-9-Yl)-2-Methylidenebutoxy]Methylphosphonic Acid
• Synonyms: [4-(2-Amino-6-Oxo-3H-Purin-9-Yl)-2-Methylene-Butoxy]Methylphosphonic Acid; [4-(2-Amino-6-Oxo-3H-Purin-9-Yl)-2-Methylenebutoxy]Methylphosphonic Acid; 2-[2-(2-Amino-6-Keto-3H-Purin-9-Yl)Ethyl]Prop-2-Enoxymethylphosphonic Acid
• Molecular Formula: C₁₁H₁₆N₅O₅P
• Molecular Weight: 329.25
• CAS Registry Number: 176434-89-2
• SMILES: C1=NC2=C([N]1CCC(COC[P](=O)(O)O)=C)NC(=NC2=O)N
• InChI: 1S/C11H16N5O5P/c1-7(4-21-6-22(18,19)20)2-3-16-5-13-8-9(16)14-11(12)15-10(8)17/h5H,1-4,6H2,(H2,18,19,20)(H3,12,14,15,17)
• InChIKey: KCQPHHMIPYIKOA-UHFFFAOYSA-N

Properties

• Density: 1.736g/cm³ (Cal.)
• Boiling point: 720.908°C at 760 mmHg (Cal.)
• Flash point: 389.791°C (Cal.)