Basic information
- CAS
112375-45-8- Standard SMILES
COC(=O)CCC[C@H](C(=O)Oc1ccccc1)[C@@H](C(C)C)S(=O)(=O)c1ccccc1- InChIKey
RXXUDTRXSQIXKY-RBBKRZOGSA-N- Molecular formula
- C23H28O6S
- Average molar mass
- 432.5 g/mol
- Monoisotopic mass
- 432.16065978
Names & identifiers
- Preferred name
- Hexanedioic acid, 2-(2-methyl-1-(phenylsulfonyl)propyl)-, 6-methyl 1-phenyl ester, (R*,R*)-
- IUPAC
- 6-O-methyl 1-O-phenyl (2R)-2-[(1R)-1-(benzenesulfonyl)-2-methylpropyl]hexanedioate
Names & synonyms
112375-45-8Hexanedioic acid, 2-(2-methyl-1-(phenylsulfonyl)propyl)-, 6-methyl 1-phenyl ester, (R*,R*)-DTXSID509207446-Methyl 1-phenyl 2-[1-(benzenesulfonyl)-2-methylpropyl]hexanedioate6-Methyl 1-phenyl (2R)-2-[(1R)-1-(benzenesulfonyl)-2-methylpropyl]hexanedioate
Database identifiers
- CAS
112375-45-8- PubChem CID
- 183447
- DTXSID
DTXSID50920744
Properties
Computed structural properties
- XLogP
- 4.5
- Topological polar surface area
- 95.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 12
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 639
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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