Octanedioic acid, 2-(2-methyl-1-(phenylsulfonyl)propyl)-, 8-methyl 1-phenyl ester, (R,R)-

HCID 183451

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Basic information

CAS: 112375-49-2
Standard SMILES: COC(=O)CCCCC[C@H](C(=O)Oc1ccccc1)[C@@H](C(C)C)S(=O)(=O)c1ccccc1
InChIKey: FOJBTQRXCSKPJJ-LADGPHEKSA-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*,R*)-
IUPAC: 8-O-methyl 1-O-phenyl (2R)-2-[(1R)-1-(benzenesulfonyl)-2-methylpropyl]octanedioate

Names & synonyms

112375-49-2Octanedioic acid, 2-(2-methyl-1-(phenylsulfonyl)propyl)-, 8-methyl 1-phenyl ester, (R*,R*)-DTXSID109207458-Methyl 1-phenyl 2-[1-(benzenesulfonyl)-2-methylpropyl]octanedioate8-Methyl 1-phenyl (2R)-2-[(1R)-1-(benzenesulfonyl)-2-methylpropyl]octanedioate

Database identifiers

CAS: 112375-49-2
PubChem CID: 183451
DTXSID: DTXSID10920745

Properties

Computed structural properties

XLogP: 5.6
Topological polar surface area: 95.1 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 6
Rotatable bonds: 14
Heavy atoms: 32
Formal charge: 0
Complexity: 669

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