(2S,3S,4S,5R,6S)-3,4,5-Trihydroxy-6-(4-Hydroxyphenoxy)Oxane-2-Carboxylic Acid
[CAS# 35119-91-6]

Identification

• Name: (2S,3S,4S,5R,6S)-3,4,5-Trihydroxy-6-(4-Hydroxyphenoxy)Oxane-2-Carboxylic Acid
• Synonyms: (2S,3S,4S,5R,6S)-3,4,5-Trihydroxy-6-(4-Hydroxyphenoxy)Tetrahydropyran-2-Carboxylic Acid; (2S,3S,4S,5R,6S)-3,4,5-Trihydroxy-6-(4-Hydroxyphenoxy)-2-Tetrahydropyrancarboxylic Acid; Quinol Glucuronide
• Molecular Formula: C₁₂H₁₄O₈
• Molecular Weight: 286.24
• CAS Registry Number: 35119-91-6
• SMILES: [C@@H]1([C@@H]([C@H]([C@@H](O[C@@H]1C(=O)O)OC2=CC=C(C=C2)O)O)O)O
• InChI: 1S/C12H14O8/c13-5-1-3-6(4-2-5)19-12-9(16)7(14)8(15)10(20-12)11(17)18/h1-4,7-10,12-16H,(H,17,18)/t7-,8-,9+,10-,12+/m0/s1
• InChIKey: KCWGTTYNHQOGSJ-GOVZDWNOSA-N

Properties

• Density: 1.697g/cm³ (Cal.)
• Boiling point: 626.286°C at 760 mmHg (Cal.)
• Flash point: 244.127°C (Cal.)