Basic information
- Standard SMILES
COC(=O)C(CC1CCCC1OC1CCCCO1)c1ccc(S(C)(=O)=O)cc1- InChIKey
FPAXVLRYGWWBRP-UHFFFAOYSA-N- Molecular formula
- C21H30O6S
- Average molar mass
- 410.5 g/mol
- Monoisotopic mass
- 410.17630985
Names & identifiers
- Preferred name
- 2-(4-Methanesulfonyl-phenyl)-3-[2-(tetrahydropyran-2-yloxy)-cyclopentyl]-propionic acid methyl ester
- IUPAC
- methyl 2-(4-methylsulfonylphenyl)-3-[2-(oxan-2-yloxy)cyclopentyl]propanoate
Names & synonyms
SCHEMBL2642470FPAXVLRYGWWBRP-UHFFFAOYSA-N2-(4-methanesulfonyl-phenyl)-3-[2-(tetrahydropyran-2-yloxy)-cyclopentyl]-propionic acid methyl ester
Database identifiers
- PubChem CID
- 67482144
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 87.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 8
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 605
Related reactions
6 records
Compound notes
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