2-Amino-7-[2-(2-Amino-6-Oxo-3H-Purin-7-Yl)Ethyl]-3H-Purin-6-One
[CAS# 72409-55-3]

Identification

• Name: 2-Amino-7-[2-(2-Amino-6-Oxo-3H-Purin-7-Yl)Ethyl]-3H-Purin-6-One
• Synonyms: 2-Amino-7-[2-(2-Amino-6-Keto-3H-Purin-7-Yl)Ethyl]-3H-Purin-6-One; 6H-Purine-6-One, 7,7'-(1,2-Ethanediyl)Bis(2-Amino-1,7-Dihydro-; Diguanylethane
• Molecular Formula: C₁₂H₁₂N₁₀O₂
• Molecular Weight: 328.29
• CAS Registry Number: 72409-55-3
• SMILES: C1=NC4=C([N]1CC[N]3C2=C(NC(=NC2=O)N)N=C3)C(N=C(N4)N)=O
• InChI: 1S/C12H12N10O2/c13-11-17-7-5(9(23)19-11)21(3-15-7)1-2-22-4-16-8-6(22)10(24)20-12(14)18-8/h3-4H,1-2H2,(H3,13,17,19,23)(H3,14,18,20,24)
• InChIKey: GBXKEXOJSKEPTK-UHFFFAOYSA-N

Properties

• Density: 2.193g/cm³ (Cal.)
• Boiling point: 879.138°C at 760 mmHg (Cal.)
• Flash point: 485.485°C (Cal.)