Basic information
- Standard SMILES
COC(=O)CC1(CS[C@H](CCc2ccccc2C(C)(C)O)c2cccc(CO)c2)CC1- InChIKey
RJTJRGUAOIXHLF-HSZRJFAPSA-N- Molecular formula
- C26H34O4S
- Average molar mass
- 442.6 g/mol
Names & identifiers
- Preferred name
- (R)Methyl 1-(((1-(3-(hydroxymethyl)phenyl)-3-(2-(2-hydroxy-2-propyl)phenyl)propyl)thio)methyl)cyclopropaneacetate
- IUPAC
- methyl 2-[1-[[(1R)-1-[3-(hydroxymethyl)phenyl]-3-[2-(2-hydroxypropan-2-yl)phenyl]propyl]sulfanylmethyl]cyclopropyl]acetate
Names & synonyms
SCHEMBL8123071RJTJRGUAOIXHLF-HSZRJFAPSA-N(R)Methyl 1-(((1-(3-(hydroxymethyl)phenyl)-3-(2-(2-hydroxy-2-propyl)phenyl)propyl)thio)methyl)cyclopropaneacetateMethyl 1-(((1(R)-(3-(hydroxymethyl)phenyl)-3-(2-(1-hydroxy-1-methylethyl)phenyl)propyl)thio)methyl)cyclopropaneacetate
Database identifiers
- PubChem CID
- 18655248
Properties
Computed structural properties
- XLogP
- 4
- Topological polar surface area
- 92.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 12
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 574
Related reactions
5 records
Compound notes
Loading…