Basic information
- Standard SMILES
COC(=O)CC1(CS[C@H](CCc2ccccc2C(C)(C)O)c2cccc(COC3CCCCO3)c2)CC1- InChIKey
AHXPFYZXRHNRPS-SCBLGKRXSA-N- Molecular formula
- C31H42O5S
- Average molar mass
- 526.7 g/mol
Names & identifiers
- Preferred name
- Methyl 1-(((1(R)-(3-(((2-tetrahydropyranyl)oxy)methyl)phenyl)-3-(2-(1-hydroxy-1-methylethyl)phenyl)propyl)thio)methyl)cyclopropaneacetate
- IUPAC
- methyl 2-[1-[[(1R)-3-[2-(2-hydroxypropan-2-yl)phenyl]-1-[3-(oxan-2-yloxymethyl)phenyl]propyl]sulfanylmethyl]cyclopropyl]acetate
Names & synonyms
SCHEMBL8122944AHXPFYZXRHNRPS-SCBLGKRXSA-NMethyl 1-(((1(R)-(3-(((2-tetrahydropyranyl)oxy)methyl)phenyl)-3-(2-(1-hydroxy-1-methylethyl)phenyl)propyl)thio)methyl)cyclopropaneacetateMethyl 1-(((3-(2-(2-hydroxy-2-propyl)phenyl) -1(R)-(3-((2-tetrahydropyranyl)oxymethyl)phenyl)propyl)thio)methyl)cyclopropaneacetate
Database identifiers
- PubChem CID
- 18655247
Properties
Computed structural properties
- XLogP
- 5.4
- Topological polar surface area
- 90.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 14
- Heavy atoms
- 37
- Formal charge
- 0
- Complexity
- 708
Related reactions
6 records
Compound notes
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