Basic information
- Standard SMILES
COC(=O)[C@H]1O[C@H](OCC(Cl)(Cl)Cl)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O- InChIKey
CQAAZFFMFWULOT-GCQYFTOKSA-N- Molecular formula
- C15H19Cl3O10
- Average molar mass
- 465.7 g/mol
Names & identifiers
- Preferred name
- 1-O-trichloroethyl-2,3,4-tri-O-acetyl-alpha-D-glucopyranuronic acid methyl ester
- IUPAC
- methyl (2S,3S,4S,5R,6S)-3,4,5-triacetyloxy-6-(2,2,2-trichloroethoxy)oxane-2-carboxylate
Names & synonyms
SCHEMBL186453CQAAZFFMFWULOT-GCQYFTOKSA-N1-O-trichloroethyl-2,3,4-tri-O-acetyl-alpha-D-glucopyranuronic acid methyl ester
Database identifiers
- PubChem CID
- 66617092
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 124 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 10
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 605
Related reactions
1 records
Compound notes
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