Benzoyl beta-D-Glucopyranoside
[CAS# 21056-52-0]

Identification

• Name: Benzoyl beta-D-Glucopyranoside
• Synonyms: [3,4,5-Trihydroxy-6-(Hydroxymethyl)Tetrahydropyran-2-Yl] Benzoate; Benzoic Acid [3,4,5-Trihydroxy-6-(Hydroxymethyl)-2-Tetrahydropyranyl] Ester; Benzoic Acid (3,4,5-Trihydroxy-6-Methylol-Tetrahydropyran-2-Yl) Ester
• Molecular Formula: C₁₃H₁₆O₇
• Molecular Weight: 284.27
• CAS Registry Number: 21056-52-0
• SMILES: C2=C(C(OC1OC(C(C(C1O)O)O)CO)=O)C=CC=C2
• InChI: 1S/C13H16O7/c14-6-8-9(15)10(16)11(17)13(19-8)20-12(18)7-4-2-1-3-5-7/h1-5,8-11,13-17H,6H2
• InChIKey: LVFCLUMIBMHAFL-UHFFFAOYSA-N

Properties

• Density: 1.506g/cm³ (Cal.)
• Boiling point: 507.056°C at 760 mmHg (Cal.)
• Flash point: 194.137°C (Cal.)