L-Aspartic acid, N-(3-carboxy-1-oxo-2-propen-1-yl)-N-octadecyl-, sodium salt (1:3)
Basic information
- CAS
61894-02-8- Standard SMILES
CCCCCCCCCCCCCCCCCCN(C(=O)C=CC(=O)[O-])[C@@H](CC(=O)[O-])C(=O)[O-].[Na+].[Na+].[Na+]- InChIKey
LPSATXJMGWLRTJ-NNUMAELLSA-K- Molecular formula
- C26H42NNa3O7
- Average molar mass
- 549.6 g/mol
- Monoisotopic mass
- 549.26543552
Names & identifiers
- Preferred name
- L-Aspartic acid, N-(3-carboxy-1-oxo-2-propen-1-yl)-N-octadecyl-, sodium salt (1:3)
- IUPAC
- trisodium;(2S)-2-[3-carboxylatoprop-2-enoyl(octadecyl)amino]butanedioate
Names & synonyms
61894-02-8EINECS 263-306-5Trisodium N-3-carboxy-2-propenoyl-N-stearyl-L-aspartateL-Aspartic acid, N-(3-carboxy-1-oxo-2-propen-1-yl)-N-octadecyl-, sodium salt (1:3)DTXSID20889793N-(3-Carboxy-2-propenoyl)-N-octadecyl-aspartic acid, trisodium saltL-Aspartic acid, N-(3-carboxy-1-oxo-2-propenyl)-N-octadecyl-, trisodium saltRefChem:151830DTXCID501031322Trisodium N-(3-carboxylatoacryloyl)-N-octadecyl-L-aspartateLPSATXJMGWLRTJ-NNUMAELLSA-KTrisodium (2S)-2-(3-carboxylato-N-octadecylprop-2-enamido)butanedioate
Database identifiers
- CAS
61894-02-8- PubChem CID
- 112455
- DTXSID
DTXSID20889793- EC Number
- 263-306-5
Properties
Computed structural properties
- Topological polar surface area
- 141 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 20
- Heavy atoms
- 37
- Formal charge
- 0
- Complexity
- 602
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationL-Aspartic acid, N-(3-carboxy-1-oxo-2-propen-1-yl)-N-octadecyl-, sodium salt (1:3): INACTIVE
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Related reactions
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Compound notes
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