Basic information
- Standard SMILES
CCCCCCCC/C=C\CCCCCCCC(=O)OCCN(CCOC(=O)CCCCCCC/C=C\CCCCCCCC)C(=O)CSCCN(C)C- InChIKey
ZZKSAGLXXZYPNU-WRBBJXAJSA-N- Molecular formula
- C46H86N2O5S
- Average molar mass
- 779.3 g/mol
Names & identifiers
- Preferred name
- (Z)-((2-((2-(dimethylamino)ethyl)thio)acetyl)azanediyl)bis(ethane-2,1-diyl) dioleate
- IUPAC
- 2-[[2-[2-(dimethylamino)ethylsulfanyl]acetyl]-[2-[(Z)-octadec-9-enoyl]oxyethyl]amino]ethyl (Z)-octadec-9-enoate
Names & synonyms
SCHEMBL14239733ZZKSAGLXXZYPNU-WRBBJXAJSA-N(Z)-((2-((2-(dimethylamino)ethyl)thio)acetyl)azanediyl)bis(ethane-2,1-diyl) dioleate
Database identifiers
- PubChem CID
- 72550488
Properties
Computed structural properties
- XLogP
- 15.2
- Topological polar surface area
- 101 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 43
- Heavy atoms
- 54
- Formal charge
- 0
- Complexity
- 852
Related reactions
2 records
Compound notes
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