2,3,4,6-Tetra-O-Benzoyl-N-(Thioxomethylene)-beta-D-Glucopyranosylamine
[CAS# 132413-50-4]

Identification

• Classification: Biochemical >> Carbohydrate >> Monosaccharide
• Name: 2,3,4,6-Tetra-O-Benzoyl-N-(Thioxomethylene)-beta-D-Glucopyranosylamine
• Synonyms: "2,3,4,6-Tetra-O-benzoyl-¦Â-D-glucopyranosyl isothiocyanate"; 2,3,4,6-Tetra-O-benzoyl-¦Â-D-glucopyranosyl isothiocyanate; 2,3,4,6-Tetra-O-benzoyl-ß-D-glucopyranosyl isothiocyanate
• Molecular Formula: C₃₅H₂₇NO₉S
• Molecular Weight: 637.66
• CAS Registry Number: 132413-50-4
• SMILES: S=C=N\[C@@H]4O[C@@H]([C@@H](OC(=O)c1ccccc1)[C@H](OC(=O)c2ccccc2)[C@H]4OC(=O)c3ccccc3)COC(=O)c5ccccc5
• InChI: 1S/C35H27NO9S/c37-32(23-13-5-1-6-14-23)41-21-27-28(43-33(38)24-15-7-2-8-16-24)29(44-34(39)25-17-9-3-10-18-25)30(31(42-27)36-22-46)45-35(40)26-19-11-4-12-20-26/h1-20,27-31H,21H2/t27-,28-,29+,30-,31-/m1/s1
• InChIKey: RITGYQZMPNVVEG-PXPWAULYSA-N

Properties

• Density: 1.309g/cm³ (Cal.)
• Boiling point: 775.39°C at 760 mmHg (Cal.)
• Flash point: 422.741°C (Cal.)
• Refractive index: 1.623 (Cal.)