Phenylglucuronide
[CAS# 16063-67-5]

Identification

• Name: Phenylglucuronide
• Synonyms: (2S,3S,4S,5R)-3,4,5-Trihydroxy-6-(Phenoxy)Tetrahydropyran-2-Carboxylic Acid; (2S,3S,4S,5R)-3,4,5-Trihydroxy-6-(Phenoxy)-2-Tetrahydropyrancarboxylic Acid; D-Glucopyranosiduronic Acid, Phenyl
• Molecular Formula: C₁₂H₁₄O₇
• Molecular Weight: 270.24
• CAS Registry Number: 16063-67-5
• SMILES: [C@H]1([C@H]([C@@H]([C@H](OC1OC2=CC=CC=C2)C(O)=O)O)O)O
• InChI: 1S/C12H14O7/c13-7-8(14)10(11(16)17)19-12(9(7)15)18-6-4-2-1-3-5-6/h1-5,7-10,12-15H,(H,16,17)/t7-,8-,9+,10-,12?/m0/s1
• InChIKey: WVHAUDNUGBNUDZ-SDQGTYQYSA-N

Properties

• Density: 1.588g/cm³ (Cal.)
• Boiling point: 541.996°C at 760 mmHg (Cal.)
• Flash point: 212.259°C (Cal.)