2-[2-Amino-6-(3-Methyl-5-Nitroimidazol-4-Yl)Sulfanylpurin-9-Yl]-5-(Hydroxymethyl)Oxolane-3,4-Diol
[CAS# 3384-61-0]

Identification

• Name: 2-[2-Amino-6-(3-Methyl-5-Nitroimidazol-4-Yl)Sulfanylpurin-9-Yl]-5-(Hydroxymethyl)Oxolane-3,4-Diol
• Synonyms: 2-[2-Amino-6-(3-Methyl-5-Nitro-Imidazol-4-Yl)Sulfanyl-Purin-9-Yl]-5-(Hydroxymethyl)Tetrahydrofuran-3,4-Diol; 2-[2-Amino-6-[(3-Methyl-5-Nitro-4-Imidazolyl)Thio]-9-Purinyl]-5-(Hydroxymethyl)Tetrahydrofuran-3,4-Diol; 2-[2-Amino-6-[(3-Methyl-5-Nitro-Imidazol-4-Yl)Thio]Purin-9-Yl]-5-Methylol-Tetrahydrofuran-3,4-Diol
• Molecular Formula: C₁₄H₁₆N₈O₆S
• Molecular Weight: 424.39
• CAS Registry Number: 3384-61-0
• SMILES: C1=NC3=C([N]1C2OC(C(O)C2O)CO)N=C(N=C3SC4=C(N=C[N]4C)[N+]([O-])=O)N
• InChI: 1S/C14H16N8O6S/c1-20-3-17-10(22(26)27)13(20)29-11-6-9(18-14(15)19-11)21(4-16-6)12-8(25)7(24)5(2-23)28-12/h3-5,7-8,12,23-25H,2H2,1H3,(H2,15,18,19)
• InChIKey: WJPLSTABBCGIQS-UHFFFAOYSA-N

Properties

• Density: 2.14g/cm³ (Cal.)
• Boiling point: 907.77°C at 760 mmHg (Cal.)
• Flash point: 502.801°C (Cal.)