Basic information
- Standard SMILES
COc1ccc(S[C@H](CCCCc2ccccc2)[C@H](CO)C(=O)OC(C)(C)C)cc1- InChIKey
CXLOWYDLIVSBCQ-XZOQPEGZSA-N- Molecular formula
- C25H34O4S
- Average molar mass
- 430.6 g/mol
Names & identifiers
- Preferred name
- (+/-)-t-butyl (2R*,3R*)-2-hydroxymethyl-3-(4-methoxyphenylsulfanyl)-7-phenylheptanoate
- IUPAC
- tert-butyl (2R,3R)-2-(hydroxymethyl)-3-(4-methoxyphenyl)sulfanyl-7-phenylheptanoate
Names & synonyms
CXLOWYDLIVSBCQ-XZOQPEGZSA-N(+/-)-t-butyl (2R*,3R*)-2-hydroxymethyl-3-(4-methoxyphenylsulfanyl)-7-phenylheptanoate
Database identifiers
- PubChem CID
- 53745362
Properties
Computed structural properties
- XLogP
- 5.8
- Topological polar surface area
- 81.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 13
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 476
Related reactions
1 records
Compound notes
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