Basic information
- CAS
112375-47-0- Standard SMILES
COC(=O)CCCC[C@H](C(=O)Oc1ccccc1)[C@@H](C(C)C)S(=O)(=O)c1ccccc1- InChIKey
CYMOPVRYHFSEKW-JTHBVZDNSA-N- Molecular formula
- C24H30O6S
- Average molar mass
- 446.6 g/mol
- Monoisotopic mass
- 446.17630985
Names & identifiers
- Preferred name
- Heptanedioic acid, 2-(2-methyl-1-(phenylsulfonyl)propyl)-, 7-methyl 1-phenyl ester, (R*,R*)-
- IUPAC
- 7-O-methyl 1-O-phenyl (2R)-2-[(1R)-1-(benzenesulfonyl)-2-methylpropyl]heptanedioate
Names & synonyms
Heptanedioic acid, 2-(2-methyl-1-(phenylsulfonyl)propyl)-, 7-methyl 1-phenyl ester, (R*,R*)-112375-47-0DTXSID201500117-Methyl 1-phenyl (2R)-2-[(1R)-1-(benzenesulfonyl)-2-methylpropyl]heptanedioate
Database identifiers
- CAS
112375-47-0- PubChem CID
- 183449
- DTXSID
DTXSID20150011
Properties
Computed structural properties
- XLogP
- 5.1
- Topological polar surface area
- 95.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 13
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 654
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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