5-Amino-3-[3,4-Dihydroxy-5-(Hydroxymethyl)Oxolan-2-Yl]-2H-Triazolo[4,5-e]Pyrimidin-7-One
[CAS# 2133-80-4]

Identification

• Name: 5-Amino-3-[3,4-Dihydroxy-5-(Hydroxymethyl)Oxolan-2-Yl]-2H-Triazolo[4,5-e]Pyrimidin-7-One
• Synonyms: 5-Amino-3-[3,4-Dihydroxy-5-(Hydroxymethyl)Tetrahydrofuran-2-Yl]-2H-Triazolo[4,5-E]Pyrimidin-7-One; 5-Amino-3-[3,4-Dihydroxy-5-(Hydroxymethyl)-2-Tetrahydrofuranyl]-2H-Triazolo[4,5-E]Pyrimidin-7-One; 5-Amino-3-(3,4-Dihydroxy-5-Methylol-Tetrahydrofuran-2-Yl)-2H-Triazolo[4,5-E]Pyrimidin-7-One
• Molecular Formula: C₉H₁₂N₆O₅
• Molecular Weight: 284.23
• CAS Registry Number: 2133-80-4
• SMILES: C(O)C3OC(N1NN=C2C1=NC(=NC2=O)N)C(O)C3O
• InChI: 1S/C9H12N6O5/c10-9-11-6-3(7(19)12-9)13-14-15(6)8-5(18)4(17)2(1-16)20-8/h2,4-5,8,14,16-18H,1H2,(H2,10,12,19)
• InChIKey: PFIXFNFIQKRYHC-UHFFFAOYSA-N

Properties

• Density: 2.492g/cm³ (Cal.)
• Boiling point: 567.265°C at 760 mmHg (Cal.)
• Flash point: 296.871°C (Cal.)