9-(6'-Deoxy-beta-D-Allofuranosyl)-6-Thiopurine
[CAS# 2946-43-2]

Identification

• Name: 9-(6'-Deoxy-beta-D-Allofuranosyl)-6-Thiopurine
• Synonyms: 9-[3,4-Dihydroxy-5-(1-Hydroxyethyl)Tetrahydrofuran-2-Yl]-3H-Purine-6-Thione; 9-[3,4-Dihydroxy-5-(1-Hydroxyethyl)-2-Tetrahydrofuranyl]-3H-Purine-6-Thione; Nsc358675
• Molecular Formula: C₁₁H₁₄N₄O₄S
• Molecular Weight: 298.32
• CAS Registry Number: 2946-43-2
• SMILES: C2=NC1=C(NC=NC1=S)[N]2C3OC(C(C3O)O)C(C)O
• InChI: 1S/C11H14N4O4S/c1-4(16)8-6(17)7(18)11(19-8)15-3-14-5-9(15)12-2-13-10(5)20/h2-4,6-8,11,16-18H,1H3,(H,12,13,20)
• InChIKey: LMTPULIBTJWSQT-UHFFFAOYSA-N

Properties

• Density: 1.921g/cm³ (Cal.)
• Boiling point: 690.046°C at 760 mmHg (Cal.)
• Flash point: 371.127°C (Cal.)