[5-(2-Amino-6-Oxo-3H-Purin-9-Yl)-3,3-Dimethylpentyl]Phosphonic Acid
[CAS# 155270-69-2]

Identification

• Name: [5-(2-Amino-6-Oxo-3H-Purin-9-Yl)-3,3-Dimethylpentyl]Phosphonic Acid
• Synonyms: [5-(2-Amino-6-Oxo-3H-Purin-9-Yl)-3,3-Dimethyl-Pentyl]Phosphonic Acid; [5-(2-Amino-6-Keto-3H-Purin-9-Yl)-3,3-Dimethyl-Pentyl]Phosphonic Acid; 9-(3,3-Dimethyl-5-Phosphonopentyl)Guanine
• Molecular Formula: C₁₂H₂₀N₅O₄P
• Molecular Weight: 329.29
• CAS Registry Number: 155270-69-2
• SMILES: C1=NC2=C([N]1CCC(CC[P](O)(O)=O)(C)C)NC(=NC2=O)N
• InChI: 1S/C12H20N5O4P/c1-12(2,4-6-22(19,20)21)3-5-17-7-14-8-9(17)15-11(13)16-10(8)18/h7H,3-6H2,1-2H3,(H2,19,20,21)(H3,13,15,16,18)
• InChIKey: UYGTVQNSPBEEPR-UHFFFAOYSA-N

Properties

• Density: 1.616g/cm³ (Cal.)
• Boiling point: 673.11°C at 760 mmHg (Cal.)
• Flash point: 360.884°C (Cal.)