Clofibric Pyranoglucuronate
[CAS# 80183-07-9]

Identification

• Name: Clofibric Pyranoglucuronate
• Synonyms: (2S,3S,4S,5R)-6-[2-(4-Chlorophenoxy)-2-Methyl-Propanoyl]Oxy-3,4,5-Trihydroxy-Tetrahydropyran-2-Carboxylic Acid; (2S,3S,4S,5R)-6-[2-(4-Chlorophenoxy)-2-Methyl-1-Oxopropoxy]-3,4,5-Trihydroxy-2-Tetrahydropyrancarboxylic Acid; (2S,3S,4S,5R)-6-[2-(4-Chlorophenoxy)-2-Methyl-Propanoyl]Oxy-3,4,5-Trihydroxy-Oxane-2-Carboxylic Acid
• Molecular Formula: C₁₆H₁₉ClO₉
• Molecular Weight: 390.77
• CAS Registry Number: 80183-07-9
• SMILES: [C@@H]1(C(O[C@@H]([C@H]([C@@H]1O)O)C(=O)O)OC(C(C)(C)OC2=CC=C(C=C2)Cl)=O)O
• InChI: 1S/C16H19ClO9/c1-16(2,26-8-5-3-7(17)4-6-8)15(23)25-14-11(20)9(18)10(19)12(24-14)13(21)22/h3-6,9-12,14,18-20H,1-2H3,(H,21,22)/t9-,10-,11+,12-,14?/m0/s1
• InChIKey: LCJVUUVMVSSIGZ-ZAOAHOKWSA-N

Properties

• Density: 1.553g/cm³ (Cal.)
• Boiling point: 587.312°C at 760 mmHg (Cal.)
• Flash point: 308.995°C (Cal.)