Benzoyl Glucuronide
[CAS# 19237-53-7]

Identification

• Name: Benzoyl Glucuronide
• Synonyms: (2S,3S,4S,5R,6S)-6-(Benzoyloxy)-3,4,5-Trihydroxy-Tetrahydropyran-2-Carboxylic Acid; (2S,3S,4S,5R,6S)-3,4,5-Trihydroxy-6-(Oxo-Phenylmethoxy)-2-Tetrahydropyrancarboxylic Acid; (2S,3S,4S,5R,6S)-3,4,5-Trihydroxy-6-Phenylcarbonyloxy-Oxane-2-Carboxylic Acid
• Molecular Formula: C₁₃H₁₄O₈
• Molecular Weight: 298.25
• CAS Registry Number: 19237-53-7
• SMILES: [C@@H]2(O[C@@H](OC(=O)C1=CC=CC=C1)[C@@H]([C@H]([C@@H]2O)O)O)C(=O)O
• InChI: 1S/C13H14O8/c14-7-8(15)10(11(17)18)20-13(9(7)16)21-12(19)6-4-2-1-3-5-6/h1-5,7-10,13-16H,(H,17,18)/t7-,8-,9+,10-,13-/m0/s1
• InChIKey: NLOPFVNXNMEEDI-UNLLLRGISA-N

Properties

• Density: 1.606g/cm³ (Cal.)
• Boiling point: 563.732°C at 760 mmHg (Cal.)
• Flash point: 216.883°C (Cal.)