Basic information
- CAS
6730-20-7- Standard SMILES
CC(=O)OC1C(OC(C)=O)C(OC(C)=O)C(OS(C)(=O)=O)C(OC(=O)c2ccccc2)C1OC(C)=O- InChIKey
SZNUYUMJZUMJSQ-UHFFFAOYSA-N- Molecular formula
- C22H26O13S
- Average molar mass
- 530.5 g/mol
- Monoisotopic mass
- 530.10941205
Names & identifiers
- Preferred name
- 2,3,4,5-Tetrakis(acetyloxy)-6-[(methanesulfonyl)oxy]cyclohexyl benzoate
- IUPAC
- (2,3,4,5-tetraacetyloxy-6-methylsulfonyloxycyclohexyl) benzoate
Names & synonyms
6730-20-7NSC269408DTXSID503133592,3,4,5-Tetrakis(acetyloxy)-6-[(methanesulfonyl)oxy]cyclohexyl benzoateNSC-269408
Database identifiers
- CAS
6730-20-7- PubChem CID
- 320735
- DTXSID
DTXSID50313359
Properties
Computed structural properties
- XLogP
- 0.9
- Topological polar surface area
- 183 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 13
- Rotatable bonds
- 13
- Heavy atoms
- 36
- Formal charge
- 0
- Complexity
- 947
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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