Urochloralic acid
(2S,3S,4S,5R,6R)-3,4,5-trihydroxy-6-(2,2,2-trichloroethoxy)oxane-2-carboxylic acid
Also Known As: Urochloralic acid|Trichloroethanol glucuronide|Trichloroethanol-glucuronide|2,2,2-Trichloroethanol Glucuronide|Trichloroethyl b-D-glucuronide|Trichloroethyl ?-D-Glucuronide|UROCHLORALIC ACID [MI]|Trichloroethyl |A-D-Glucuronide|Trichloroethyl beta-D-Glucuronide|2,2,2-trichloroethyl beta-D-Glucopyranosiduronic acid|Trichloroethyl beta -D-Glucuronide|DISCONTINUED. Please see T774515.||A,|A,|A-Trichloroethyl-|A-D-glucuronic Acid|Trichloroethyl b-D-glucuronide potassium salt|2,2,2-trichloroethyl beta-D-glucosiduronic acid|2,2,2-Trichloroethyl beta-D-glucuronopyranoside|(2S,3S,4S,5R,6R)-3,4,5-trihydroxy-6-(2,2,2-trichloroethoxy)oxane-2-carboxylic acid|2,2,2-Trichloroethyl |A-D-Glucopyranosiduronic Acid|(2S,3S,4S,5R,6R)-3,4,5-Trihydroxy-6-(2,2,2-trichloroethoxy)tetrahydro-2H-pyran-2-carboxylic acid|beta-D-Glucopyranosiduronic acid, 2,2,2-trichloroethyl|UCA|(2S,3S,4S,5R,6R)-3,4,5-trihydroxy-6-(2,2,2-trichloroethoxy)tetrahydropyran-2-carboxylic acid
| Molecular Formula | C8H11Cl3O7 |
|---|---|
| Molecular Weight | 323.95703 g/mol |
| LogP | -0.7346 |
| Topological Polar Surface Area | 116.45 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 323.95703 |
| Monoisotopic Mass | 323.95703 |
| Heavy Atoms | 18 |
| Complexity | 307.55594 |
Chemical Identifiers
| CAS Number | 97-25-6 |
|---|---|
| SMILES | C(C(Cl)(Cl)Cl)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)C(=O)O)O)O)O |
Product Overview
Urochloralic acid (CAS 97-25-6), with molecular formula C8H11Cl3O7 and molecular weight 323.95703 g/mol. IUPAC: (2S,3S,4S,5R,6R)-3,4,5-trihydroxy-6-(2,2,2-trichloroethoxy)oxane-2-carboxylic acid.