Octanedioic acid, 2-(2-methyl-1-(phenylsulfonyl)propyl)-, 8-methyl 1-phenyl ester, (R*,S*)-
Basic information
- CAS
112375-50-5- Standard SMILES
COC(=O)CCCCC[C@@H](C(=O)Oc1ccccc1)[C@@H](C(C)C)S(=O)(=O)c1ccccc1- InChIKey
FOJBTQRXCSKPJJ-ISKFKSNPSA-N- Molecular formula
- C25H32O6S
- Average molar mass
- 460.6 g/mol
- Monoisotopic mass
- 460.19195991
Names & identifiers
- Preferred name
- Octanedioic acid, 2-(2-methyl-1-(phenylsulfonyl)propyl)-, 8-methyl 1-phenyl ester, (R*,S*)-
- IUPAC
- 8-O-methyl 1-O-phenyl (2S)-2-[(1R)-1-(benzenesulfonyl)-2-methylpropyl]octanedioate
Names & synonyms
112375-50-5Octanedioic acid, 2-(2-methyl-1-(phenylsulfonyl)propyl)-, 8-methyl 1-phenyl ester, (R*,S*)-DTXSID401500138-Methyl 1-phenyl (2S)-2-[(1R)-1-(benzenesulfonyl)-2-methylpropyl]octanedioate
Database identifiers
- CAS
112375-50-5- PubChem CID
- 183452
- DTXSID
DTXSID40150013
Properties
Computed structural properties
- XLogP
- 5.6
- Topological polar surface area
- 95.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 14
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 669
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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