2-(Hydroxymethyl)phenyl beta-D-Glucopyranoside 2-benzoate
[CAS# 529-66-8]

Identification

• Name: 2-(Hydroxymethyl)phenyl beta-D-Glucopyranoside 2-benzoate
• Synonyms: [(2S,3R,4S,5S,6R)-4,5-Dihydroxy-6-(Hydroxymethyl)-2-[2-(Hydroxymethyl)Phenoxy]Tetrahydropyran-3-Yl] Benzoate; Benzoic Acid [(2S,3R,4S,5S,6R)-4,5-Dihydroxy-6-(Hydroxymethyl)-2-[2-(Hydroxymethyl)Phenoxy]-3-Tetrahydropyranyl] Ester; Benzoic Acid [(2S,3R,4S,5S,6R)-4,5-Dihydroxy-6-Methylol-2-(2-Methylolphenoxy)Tetrahydropyran-3-Yl] Ester
• Molecular Formula: C₂₀H₂₂O₈
• Molecular Weight: 390.39
• CAS Registry Number: 529-66-8
• SMILES: [C@@H]1([C@@H](O[C@@H]([C@H]([C@@H]1O)O)CO)OC2=C(CO)C=CC=C2)OC(=O)C3=CC=CC=C3
• InChI: 1S/C20H22O8/c21-10-13-8-4-5-9-14(13)26-20-18(17(24)16(23)15(11-22)27-20)28-19(25)12-6-2-1-3-7-12/h1-9,15-18,20-24H,10-11H2/t15-,16-,17+,18-,20-/m1/s1
• InChIKey: FWPNCAYVELBDRB-BFMVXSJESA-N

Properties

• Density: 1.448g/cm³ (Cal.)
• Boiling point: 628.544°C at 760 mmHg (Cal.)
• Flash point: 223.542°C (Cal.)