Diflunisal Glucuronide Ether
[CAS# 58446-29-0]

Identification

• Name: Diflunisal Glucuronide Ether
• Synonyms: (2S,3S,4S,5R,6S)-6-[2-Carboxy-4-(2,4-Difluorophenyl)Phenoxy]-3,4,5-Trihydroxy-Tetrahydropyran-2-Carboxylic Acid; (2S,3S,4S,5R,6S)-6-[2-Carboxy-4-(2,4-Difluorophenyl)Phenoxy]-3,4,5-Trihydroxy-2-Tetrahydropyrancarboxylic Acid; (2S,3S,4S,5R,6S)-6-[2-Carboxy-4-(2,4-Difluorophenyl)Phenoxy]-3,4,5-Trihydroxy-Oxane-2-Carboxylic Acid
• Molecular Formula: C₁₉H₁₆F₂O₉
• Molecular Weight: 426.33
• CAS Registry Number: 58446-29-0
• SMILES: [C@H]3(OC1=CC=C(C=C1C(=O)O)C2=CC=C(C=C2F)F)[C@H](O)[C@@H](O)[C@H](O)[C@H](O3)C(=O)O
• InChI: 1S/C19H16F2O9/c20-8-2-3-9(11(21)6-8)7-1-4-12(10(5-7)17(25)26)29-19-15(24)13(22)14(23)16(30-19)18(27)28/h1-6,13-16,19,22-24H,(H,25,26)(H,27,28)/t13-,14-,15+,16-,19+/m0/s1
• InChIKey: RBZXVQOCMCPTHC-KSPMYQCISA-N

Properties

• Density: 1.663g/cm³ (Cal.)
• Boiling point: 707.196°C at 760 mmHg (Cal.)
• Flash point: 381.499°C (Cal.)