6-Purinyl 6-Deoxy-1-Thioglucopyranoside
[CAS# 114248-64-5]

Identification

• Name: 6-Purinyl 6-Deoxy-1-Thioglucopyranoside
• Synonyms: (2R,3S,4S,5R,6S)-2-Methyl-6-(7H-Purin-6-Ylsulfanyl)Tetrahydropyran-3,4,5-Triol; (2R,3S,4S,5R,6S)-2-Methyl-6-(7H-Purin-6-Ylthio)Tetrahydropyran-3,4,5-Triol; 1H-Purine, 6-((6-Deoxy-Beta-D-Glucopyranosyl)Thio)-
• Molecular Formula: C₁₁H₁₄N₄O₄S
• Molecular Weight: 298.32
• CAS Registry Number: 114248-64-5
• SMILES: [C@H]3(SC2=C1[NH]C=NC1=NC=N2)[C@H](O)[C@@H](O)[C@H](O)[C@H](O3)C
• InChI: 1S/C11H14N4O4S/c1-4-6(16)7(17)8(18)11(19-4)20-10-5-9(13-2-12-5)14-3-15-10/h2-4,6-8,11,16-18H,1H3,(H,12,13,14,15)/t4-,6-,7+,8-,11+/m1/s1
• InChIKey: TVPVIRSGJHKOBG-RYIOEUIJSA-N

Properties

• Density: 1.679g/cm³ (Cal.)
• Boiling point: 675.585°C at 760 mmHg (Cal.)
• Flash point: 362.381°C (Cal.)