2-(6-Benzylsulfanylpurin-9-Yl)-5-(Hydroxymethyl)Oxolane-3,4-Diol
[CAS# 6165-03-3]

Identification

• Name: 2-(6-Benzylsulfanylpurin-9-Yl)-5-(Hydroxymethyl)Oxolane-3,4-Diol
• Synonyms: 2-(Hydroxymethyl)-5-[6-(Phenylmethylsulfanyl)Purin-9-Yl]Tetrahydrofuran-3,4-Diol; 2-(Hydroxymethyl)-5-[6-(Phenylmethylthio)-9-Purinyl]Tetrahydrofuran-3,4-Diol; 2-[6-(Benzylthio)Purin-9-Yl]-5-Methylol-Tetrahydrofuran-3,4-Diol
• Molecular Formula: C₁₇H₁₈N₄O₄S
• Molecular Weight: 374.41
• CAS Registry Number: 6165-03-3
• SMILES: C3=NC2=C(SCC1=CC=CC=C1)N=CN=C2[N]3C4OC(CO)C(C4O)O
• InChI: 1S/C17H18N4O4S/c22-6-11-13(23)14(24)17(25-11)21-9-20-12-15(21)18-8-19-16(12)26-7-10-4-2-1-3-5-10/h1-5,8-9,11,13-14,17,22-24H,6-7H2
• InChIKey: OMJRXFOHHLLDFR-UHFFFAOYSA-N

Properties

• Density: 1.628g/cm³ (Cal.)
• Boiling point: 689.844°C at 760 mmHg (Cal.)
• Flash point: 371.004°C (Cal.)