Basic information
- Standard SMILES
CCCCCCCCCCCCCCCC(=O)OC(CCCCCCCCCCCCCCC)CC(=O)NCCC(=O)NC(CO)C(=O)O- InChIKey
MTJDQVSVIGJJRH-UHFFFAOYSA-N- Molecular formula
- C40H76N2O7
- Average molar mass
- 697 g/mol
- Monoisotopic mass
- 696.56525277
Names & identifiers
- IUPAC
- 2-[3-(3-hexadecanoyloxyoctadecanoylamino)propanoylamino]-3-hydroxypropanoic acid
Database identifiers
- PubChem CID
- 20467273
Properties
Computed structural properties
- XLogP
- 12.7
- Topological polar surface area
- 142 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 38
- Heavy atoms
- 49
- Formal charge
- 0
- Complexity
- 807
Related reactions
1 records
Compound notes
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