9-[(2S,5R)-2-(Hydroxymethyl)-1,3-Oxathiolan-5-Yl]-3H-Purin-6-One
[CAS# 149819-61-4]

Identification

• Name: 9-[(2S,5R)-2-(Hydroxymethyl)-1,3-Oxathiolan-5-Yl]-3H-Purin-6-One
• Synonyms: 9-[(2S,5R)-2-Methylol-1,3-Oxathiolan-5-Yl]-3H-Purin-6-One; Aids045354; Cis-Oxathiolan-Hypoxathine
• Molecular Formula: C₉H₁₀N₄O₃S
• Molecular Weight: 254.26
• CAS Registry Number: 149819-61-4
• SMILES: [C@H]1(O[C@@H](SC1)CO)[N]2C3=C(N=C2)C(=O)N=CN3
• InChI: 1S/C9H10N4O3S/c14-1-6-16-5(2-17-6)13-4-12-7-8(13)10-3-11-9(7)15/h3-6,14H,1-2H2,(H,10,11,15)/t5-,6+/m1/s1
• InChIKey: NWAMVXFWUIMGLW-RITPCOANSA-N

Properties

• Density: 1.919g/cm³ (Cal.)
• Boiling point: 658.428°C at 760 mmHg (Cal.)
• Flash point: 352.005°C (Cal.)