1,2-Ethanediol, 1-phenyl-, 1-(4-methylbenzenesulfonate), (R)-
Basic information
- CAS
86030-83-3- Standard SMILES
Cc1ccc(S(=O)(=O)O[C@@H](CO)c2ccccc2)cc1- InChIKey
JYWSJAIUCKNYFC-HNNXBMFYSA-N- Molecular formula
- C15H16O4S
- Average molar mass
- 292.4 g/mol
- Monoisotopic mass
- 292.07693016
Names & identifiers
- Preferred name
- 1,2-Ethanediol, 1-phenyl-, 1-(4-methylbenzenesulfonate), (R)-
- IUPAC
- [(1R)-2-hydroxy-1-phenylethyl] 4-methylbenzenesulfonate
Names & synonyms
86030-83-31,2-Ethanediol, 1-phenyl-, 1-(4-methylbenzenesulfonate), (R)-SCHEMBL17164172DTXSID6010065962-Hydroxy-1-phenylethyl 4-methylbenzene-1-sulfonate(1R)-2-Hydroxy-1-phenylethyl 4-methylbenzene-1-sulfonate
Database identifiers
- CAS
86030-83-3- PubChem CID
- 186334
- DTXSID
DTXSID601006596
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 72 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 373
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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