Diflunisal glucuronide ether
(2S,3S,4S,5R,6S)-6-[2-carboxy-4-(2,4-difluorophenyl)phenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid
Also Known As: Diflunisal glucuronide ether|Diflunisal phenolic glucuronide|Diflunisal 1-O-|A-D-Glucuronide|Diflunisal 1-O-b-D-Glucuronide|Diflunisal 1-O-?-D-Glucuronide|Diflunisal 1-O-|A-D-Glucuronate|Diflunisal 1-O-beta-D-glucuronate|DIFLUNISAL 1-O-BETA-D-GLUCURONIDE|(2S,3S,4S,5R,6S)-6-[2-carboxy-4-(2,4-difluorophenyl)phenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid|3-Carboxy-2',4'-difluoro[1,1'-biphenyl]-4-yl beta-D-glucopyranosiduronic acid|beta-D-Glucopyranosiduronic acid, 3-carboxy-2',4'-difluoro(1,1'-biphenyl)-4-yl, stereoisomer|beta-D-Glucopyranosiduronic acid, 3-carboxy-2',4'-difluoro(1,1'-biphenyl)-4-yl|(2S,3S,4S,5R,6S)-6-({2',4'-DIFLUORO-[1,1'-BIPHENYL]-3-YL}OXY)-3,4,5-TRIHYDROXYOXANE-2-CARBOXYLIC ACID|2 ,4 -Difluoro-3-carboxybiphenyl-4-yl beta-D-glucopyranosiduronic acid|3-Carboxy-2',4'-difluoro[1,1'-biphenyl]-4-yl |A-D-Glucopyranosiduronic Acid|beta-D-Glucopyranosiduronic acid, 3-carboxy-2',4'-difluoro[1,1'-biphenyl]-4-yl|(2S,3S,4S,5R,6S)-6-((3-Carboxy-2',4'-difluoro-[1,1'-biphenyl]-4-yl)oxy)-3,4,5-trihydroxytetrahydro-2H-pyran-2-carboxylic acid
| Molecular Formula | C19H16F2O9 |
|---|---|
| Molecular Weight | 426.07623 g/mol |
| LogP | 0.601 |
| Topological Polar Surface Area | 153.75 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 426.07623 |
| Monoisotopic Mass | 426.07623 |
| Heavy Atoms | 30 |
| Complexity | 980.4726 |
Chemical Identifiers
| CAS Number | 58446-29-0 |
|---|---|
| SMILES | C1=CC(=C(C=C1C2=C(C=C(C=C2)F)F)C(=O)O)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)C(=O)O)O)O)O |
Product Overview
Diflunisal glucuronide ether (CAS 58446-29-0), with molecular formula C19H16F2O9 and molecular weight 426.07623 g/mol. IUPAC: (2S,3S,4S,5R,6S)-6-[2-carboxy-4-(2,4-difluorophenyl)phenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid.