Basic information
- Standard SMILES
CCCCCCCCCCCCCCCCCCCCCCCC(=S)C(OC(=O)CCCCCCCCCCCCCCC)C(O)COC(=O)CCCCCCCCCCCCCCC- InChIKey
LGVOKDDOSNFIHN-UHFFFAOYSA-N- Molecular formula
- C59H114O5S
- Average molar mass
- 935.6 g/mol
Names & identifiers
- Preferred name
- (3-Hexadecanoyloxy-2-hydroxy-4-sulfanylideneheptacosyl) hexadecanoate
- IUPAC
- (3-hexadecanoyloxy-2-hydroxy-4-sulfanylideneheptacosyl) hexadecanoate
Names & synonyms
SCHEMBL4813472
Database identifiers
- PubChem CID
- 87732001
Properties
Computed structural properties
- XLogP
- 26.1
- Topological polar surface area
- 105 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 57
- Heavy atoms
- 65
- Formal charge
- 0
- Complexity
- 986
Related reactions
1 records
Compound notes
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