Basic information
- Standard SMILES
C[C@]1(c2ccc(O)cc2)CSc2cc(O)ccc2[C@H]1CCCCCCCCC(CCCC(F)(F)C(F)(F)F)C(=O)O- InChIKey
LVLWWPLSSKDAMU-NPJWPSRESA-N- Molecular formula
- C31H39F5O4S
- Average molar mass
- 602.7 g/mol
- Monoisotopic mass
- 602.2489217
Names & identifiers
- Preferred name
- 10-[(3S,4S)-7-hydroxy-3-(4-hydroxyphenyl)-3-methylthiochroman-4-yl]-2-(4,4,5,5,5-pentafluoropentyl)decanoic acid
- IUPAC
- 10-[(3S,4S)-7-hydroxy-3-(4-hydroxyphenyl)-3-methyl-2,4-dihydrothiochromen-4-yl]-2-(4,4,5,5,5-pentafluoropentyl)decanoic acid
Names & synonyms
10-[(3S,4S)-7-hydroxy-3-(4-hydroxyphenyl)-3-methylthiochroman-4-yl]-2-(4,4,5,5,5-pentafluoropentyl)decanoic acidCHEMBL380400SCHEMBL7120284DTXSID801348463
Database identifiers
- PubChem CID
- 9851697
- DTXSID
DTXSID801348463- ChEMBL
CHEMBL380400
Properties
Computed structural properties
- XLogP
- 10.4
- Topological polar surface area
- 103 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 15
- Heavy atoms
- 41
- Formal charge
- 0
- Complexity
- 804
Related reactions
1 records
Compound notes
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