2-(beta-D-Glucopyranosyloxy)-5-Hydroxybenzoic Acid Benzyl Ester
[CAS# 10590-85-9]

Identification

• Name: 2-(beta-D-Glucopyranosyloxy)-5-Hydroxybenzoic Acid Benzyl Ester
• Synonyms: Phenylmethyl 5-Hydroxy-2-[(2S,3R,4S,5S,6R)-3,4,5-Trihydroxy-6-(Hydroxymethyl)Tetrahydropyran-2-Yl]Oxy-Benzoate; 5-Hydroxy-2-[[(2S,3R,4S,5S,6R)-3,4,5-Trihydroxy-6-(Hydroxymethyl)-2-Tetrahydropyranyl]Oxy]Benzoic Acid Phenylmethyl Ester; 5-Hydroxy-2-[(2S,3R,4S,5S,6R)-3,4,5-Trihydroxy-6-Methylol-Tetrahydropyran-2-Yl]Oxy-Benzoic Acid Benzyl Ester
• Molecular Formula: C₂₀H₂₂O₉
• Molecular Weight: 406.39
• CAS Registry Number: 10590-85-9
• SMILES: [C@@H]1([C@@H]([C@@H](O)[C@@H]([C@H](O1)CO)O)O)OC3=C(C(OCC2=CC=CC=C2)=O)C=C(C=C3)O
• InChI: 1S/C20H22O9/c21-9-15-16(23)17(24)18(25)20(29-15)28-14-7-6-12(22)8-13(14)19(26)27-10-11-4-2-1-3-5-11/h1-8,15-18,20-25H,9-10H2/t15-,16-,17+,18-,20-/m1/s1
• InChIKey: QJWRHLSORLOREK-BFMVXSJESA-N

Properties

• Density: 1.486g/cm³ (Cal.)
• Boiling point: 705.149°C at 760 mmHg (Cal.)
• Flash point: 251.285°C (Cal.)