Diflunisal Glucuronide Ester
[CAS# 58446-30-3]

Identification

• Name: Diflunisal Glucuronide Ester
• Synonyms: (2S,3S,4S,5R,6S)-6-[5-(2,4-Difluorophenyl)-2-Hydroxy-Benzoyl]Oxy-3,4,5-Trihydroxy-Tetrahydropyran-2-Carboxylic Acid; (2S,3S,4S,5R,6S)-6-[[5-(2,4-Difluorophenyl)-2-Hydroxyphenyl]-Oxomethoxy]-3,4,5-Trihydroxy-2-Tetrahydropyrancarboxylic Acid; (2S,3S,4S,5R,6S)-6-[5-(2,4-Difluorophenyl)-2-Hydroxy-Phenyl]Carbonyloxy-3,4,5-Trihydroxy-Oxane-2-Carboxylic Acid
• Molecular Formula: C₁₉H₁₆F₂O₉
• Molecular Weight: 426.33
• CAS Registry Number: 58446-30-3
• SMILES: [C@@H]1([C@H](O)[C@@H](O)[C@H](O)[C@H](O1)C(=O)O)OC(C2=CC(=CC=C2O)C3=CC=C(C=C3F)F)=O
• InChI: 1S/C19H16F2O9/c20-8-2-3-9(11(21)6-8)7-1-4-12(22)10(5-7)18(28)30-19-15(25)13(23)14(24)16(29-19)17(26)27/h1-6,13-16,19,22-25H,(H,26,27)/t13-,14-,15+,16-,19-/m0/s1
• InChIKey: HDNSISKAKJZJPR-NAHJCDBISA-N

Properties

• Density: 1.705g/cm³ (Cal.)
• Boiling point: 652.997°C at 760 mmHg (Cal.)
• Flash point: 348.72°C (Cal.)