[1,1'-Biphenyl]-4-Yl-beta-D-Glucopyranosiduronic Acid
[CAS# 19132-91-3]

Identification

• Name: [1,1'-Biphenyl]-4-Yl-beta-D-Glucopyranosiduronic Acid
• Synonyms: (2S,3S,4S,5R,6S)-3,4,5-Trihydroxy-6-(4-Phenylphenoxy)Tetrahydropyran-2-Carboxylic Acid; (2S,3S,4S,5R,6S)-3,4,5-Trihydroxy-6-(4-Phenylphenoxy)-2-Tetrahydropyrancarboxylic Acid; Glucopyranosiduronic Acid, 4-Biphenylyl, Beta-D-
• Molecular Formula: C₁₈H₁₈O₇
• Molecular Weight: 346.34
• CAS Registry Number: 19132-91-3
• SMILES: [C@@H]3(O[C@@H](OC1=CC=C(C=C1)C2=CC=CC=C2)[C@@H]([C@H]([C@@H]3O)O)O)C(=O)O
• InChI: 1S/C18H18O7/c19-13-14(20)16(17(22)23)25-18(15(13)21)24-12-8-6-11(7-9-12)10-4-2-1-3-5-10/h1-9,13-16,18-21H,(H,22,23)/t13-,14-,15+,16-,18+/m0/s1
• InChIKey: RFZQPUBFBMWPMZ-RNGZQALNSA-N

Properties

• Density: 1.471g/cm³ (Cal.)
• Boiling point: 630.265°C at 760 mmHg (Cal.)
• Flash point: 231.943°C (Cal.)