Basic information
- Standard SMILES
CC(C)(C)OC(=O)C[C@H]1C[C@@H](COS(=O)(=O)c2cc(Cl)ccc2Cl)OC(C)(C)O1- InChIKey
TZBPMTKSVCHNCZ-KGLIPLIRSA-N- Molecular formula
- C19H26Cl2O7S
- Average molar mass
- 469.4 g/mol
Names & identifiers
- Preferred name
- (4R-cis)-1,1-dimethylethyl 6-(2,5-dichlorobenzenesulfonyloxymethyl)-2,2-dimethyl-1,3-dioxane-4-acetate
- IUPAC
- tert-butyl 2-[(4R,6S)-6-[(2,5-dichlorophenyl)sulfonyloxymethyl]-2,2-dimethyl-1,3-dioxan-4-yl]acetate
Names & synonyms
SCHEMBL9158261TZBPMTKSVCHNCZ-KGLIPLIRSA-N(4R-cis)-1,1-dimethylethyl 6-(2,5-dichlorobenzenesulfonyloxymethyl)-2,2-dimethyl-1,3-dioxane-4-acetate
Database identifiers
- PubChem CID
- 22847682
Properties
Computed structural properties
- XLogP
- 4
- Topological polar surface area
- 96.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 8
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 669
Related reactions
1 records
Compound notes
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