2-(6-Aminopurin-9-Yl)-5-(Hydroxymethyl)Thiolane-3,4-Diol
[CAS# 2500-80-3]

Identification

• Name: 2-(6-Aminopurin-9-Yl)-5-(Hydroxymethyl)Thiolane-3,4-Diol
• Synonyms: 2-(6-Aminopurin-9-Yl)-5-(Hydroxymethyl)Tetrahydrothiophene-3,4-Diol; 2-(6-Amino-9-Purinyl)-5-(Hydroxymethyl)Tetrahydrothiophene-3,4-Diol; 2-(6-Aminopurin-9-Yl)-5-Methylol-Tetrahydrothiophene-3,4-Diol
• Molecular Formula: C₁₀H₁₃N₅O₃S
• Molecular Weight: 283.30
• CAS Registry Number: 2500-80-3
• SMILES: C1=NC3=C([N]1C2SC(C(O)C2O)CO)N=CN=C3N
• InChI: 1S/C10H13N5O3S/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(18)6(17)4(1-16)19-10/h2-4,6-7,10,16-18H,1H2,(H2,11,12,13)
• InChIKey: SIGIJBMOORTVPB-UHFFFAOYSA-N

Properties

• Density: 2.08g/cm³ (Cal.)
• Boiling point: 657.752°C at 760 mmHg (Cal.)
• Flash point: 351.596°C (Cal.)