Clofibric pyranoglucuronate
(2S,3S,4S,5R)-6-[2-(4-chlorophenoxy)-2-methylpropanoyl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid
Also Known As: Clofibric acid glucuronide|CLOFIBRIC PYRANOGLUCURONATE|Cid 133401|(2S,3S,4S,5R)-6-[2-(4-chlorophenoxy)-2-methylpropanoyl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid|D-Glucopyranuronic acid, 1-(2-(4-chlorophenoxy)-2-methylpropanoate)
CAS: 80183-07-9
| Molecular Formula | C16H19ClO9 |
|---|---|
| Molecular Weight | 390.07175 g/mol |
| LogP | 1.1 |
| Topological Polar Surface Area | 143.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 6 |
| Exact Mass | 390.07175 |
| Monoisotopic Mass | 390.07175 |
| Heavy Atoms | 26 |
| Complexity | 518.0 |
Chemical Identifiers
| CAS Number | 80183-07-9 |
|---|---|
| SMILES | CC(C)(C(=O)OC1[C@@H]([C@H]([C@@H]([C@H](O1)C(=O)O)O)O)O)OC2=CC=C(C=C2)Cl |
| InChIKey | LCJVUUVMVSSIGZ-ZAOAHOKWSA-N |
Product Overview
Clofibric pyranoglucuronate (CAS 80183-07-9), with molecular formula C16H19ClO9 and molecular weight 390.07175 g/mol. IUPAC: (2S,3S,4S,5R)-6-[2-(4-chlorophenoxy)-2-methylpropanoyl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid.
Safety Data Sheet (MSDS / SDS)
View the Laboratory Chemical Safety Summary (LCSS) on PubChem — includes GHS classifications, hazard statements, first aid measures, and handling precautions.
View MSDS →
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