Phenylmethyl 1-Thio-beta-D-Glucopyranoside Tetraacetate
[CAS# 6612-63-1]

Identification

• Name: Phenylmethyl 1-Thio-beta-D-Glucopyranoside Tetraacetate
• Synonyms: [3,5-Diacetoxy-2-(Acetoxymethyl)-6-(Phenylmethylsulfanyl)Tetrahydropyran-4-Yl] Acetate; Acetic Acid [3,5-Diacetoxy-2-(Acetoxymethyl)-6-(Phenylmethylthio)-4-Tetrahydropyranyl] Ester; Acetic Acid [3,5-Diacetoxy-2-(Acetoxymethyl)-6-(Benzylthio)Tetrahydropyran-4-Yl] Ester
• Molecular Formula: C₂₁H₂₆O₉S
• Molecular Weight: 454.49
• CAS Registry Number: 6612-63-1
• SMILES: C2=C(CSC1C(C(C(C(COC(C)=O)O1)OC(C)=O)OC(C)=O)OC(C)=O)C=CC=C2
• InChI: 1S/C21H26O9S/c1-12(22)26-10-17-18(27-13(2)23)19(28-14(3)24)20(29-15(4)25)21(30-17)31-11-16-8-6-5-7-9-16/h5-9,17-21H,10-11H2,1-4H3
• InChIKey: UVVCYZREUQWNFB-UHFFFAOYSA-N

Properties

• Density: 1.293g/cm³ (Cal.)
• Boiling point: 525.993°C at 760 mmHg (Cal.)
• Flash point: 252.602°C (Cal.)