9-Carboxymethoxymethylguanine
[CAS# 80685-22-9]

Identification

• Name: 9-Carboxymethoxymethylguanine
• Synonyms: 2-[(2-Amino-6-Keto-3H-Purin-9-Yl)Methoxy]Acetic Acid; 2-[(2-Amino-6-Oxo-3H-Purin-9-Yl)Methoxy]Ethanoic Acid; 9-Carboxymethoxymethylguanine
• Molecular Formula: C₈H₉N₅O₄
• Molecular Weight: 239.19
• CAS Registry Number: 80685-22-9
• SMILES: C1=NC2=C([N]1COCC(O)=O)NC(=NC2=O)N
• InChI: 1S/C8H9N5O4/c9-8-11-6-5(7(16)12-8)10-2-13(6)3-17-1-4(14)15/h2H,1,3H2,(H,14,15)(H3,9,11,12,16)
• InChIKey: MICNQLKUSOVNNG-UHFFFAOYSA-N

Properties

• Density: 1.921g/cm³ (Cal.)
• Boiling point: 696.533°C at 760 mmHg (Cal.)
• Flash point: 375.05°C (Cal.)

References

• (1): Prasse Carsten, Wagner Manfred, Schulz Ralf, Ternes Thomas A.. Biotransformation of the Antiviral Drugs Acyclovir and Penciclovir in Activated Sludge Treatment, Environmental Science & Technology, 2011