9-(3-Hydroxy-2-Phosphonomethoxypropyl)Guanine
[CAS# 113852-36-1]

Identification

• Name: 9-(3-Hydroxy-2-Phosphonomethoxypropyl)Guanine
• Synonyms: [1-[(2-Amino-6-Oxo-3H-Purin-9-Yl)Methyl]-2-Hydroxy-Ethoxy]Methylphosphonic Acid; [1-[(2-Amino-6-Oxo-3H-Purin-9-Yl)Methyl]-2-Hydroxyethoxy]Methylphosphonic Acid; [1-[(2-Amino-6-Keto-3H-Purin-9-Yl)Methyl]-2-Hydroxy-Ethoxy]Methylphosphonic Acid
• Molecular Formula: C₉H₁₄N₅O₆P
• Molecular Weight: 319.21
• CAS Registry Number: 113852-36-1
• SMILES: C1=NC2=C([N]1CC(OC[P](O)(O)=O)CO)NC(=NC2=O)N
• InChI: 1S/C9H14N5O6P/c10-9-12-7-6(8(16)13-9)11-3-14(7)1-5(2-15)20-4-21(17,18)19/h3,5,15H,1-2,4H2,(H2,17,18,19)(H3,10,12,13,16)
• InChIKey: VXDNQJCXIVLMQW-UHFFFAOYSA-N

Properties

• Density: 2.051g/cm³ (Cal.)
• Boiling point: 811.557°C at 760 mmHg (Cal.)
• Flash point: 444.614°C (Cal.)