beta-D-Glucopyranose, 1-(3,3',5-Trihydroxy(1,1'-Biphenyl)-2-Carboxylate)
[CAS# 85514-02-9]

Identification

• Name: beta-D-Glucopyranose, 1-(3,3',5-Trihydroxy(1,1'-Biphenyl)-2-Carboxylate)
• Synonyms: [(2S,3R,4S,5S,6R)-3,4,5-Trihydroxy-6-(Hydroxymethyl)Tetrahydropyran-2-Yl] 2,4-Dihydroxy-6-(3-Hydroxyphenyl)Benzoate; 2,4-Dihydroxy-6-(3-Hydroxyphenyl)Benzoic Acid [(2S,3R,4S,5S,6R)-3,4,5-Trihydroxy-6-(Hydroxymethyl)-2-Tetrahydropyranyl] Ester; 2,4-Dihydroxy-6-(3-Hydroxyphenyl)Benzoic Acid [(2S,3R,4S,5S,6R)-3,4,5-Trihydroxy-6-Methylol-Tetrahydropyran-2-Yl] Ester
• Molecular Formula: C₁₉H₂₀O₁₀
• Molecular Weight: 408.36
• CAS Registry Number: 85514-02-9
• SMILES: [C@@H]3(OC(=O)C1=C(O)C=C(O)C=C1C2=CC=CC(=C2)O)O[C@@H]([C@@H](O)[C@H](O)[C@H]3O)CO
• InChI: 1S/C19H20O10/c20-7-13-15(24)16(25)17(26)19(28-13)29-18(27)14-11(5-10(22)6-12(14)23)8-2-1-3-9(21)4-8/h1-6,13,15-17,19-26H,7H2/t13-,15-,16+,17-,19+/m1/s1
• InChIKey: JXVLBOFIPHDJPS-YRHQEJDOSA-N

Properties

• Density: 1.717g/cm³ (Cal.)
• Boiling point: 790.151°C at 760 mmHg (Cal.)
• Flash point: 283.996°C (Cal.)