Basic information
- CAS
81869-18-3- Standard SMILES
CCCCCCCCCCCCCCCCC=CN(C(=O)CC(C(=O)[O-])S(=O)(=O)[O-])[C@@H](CC(=O)[O-])C(=O)[O-].[Na+].[Na+].[Na+].[Na+]- InChIKey
OVSNCCHFVLZIHF-WZJRWHPNSA-J- Molecular formula
- C26H41NNa4O10S
- Average molar mass
- 651.6 g/mol
- Monoisotopic mass
- 651.20419481
Names & identifiers
- Preferred name
- Tetrasodium (2S)-2-[3-carboxylato-N-(octadec-1-en-1-yl)-3-sulfonatopropanamido]butanedioate
- IUPAC
- tetrasodium;(2S)-2-[(3-carboxylato-3-sulfonatopropanoyl)-octadec-1-enylamino]butanedioate
Names & synonyms
Tetrasodium (2S)-2-[3-carboxylato-N-(octadec-1-en-1-yl)-3-sulfonatopropanamido]butanedioate
Database identifiers
- CAS
81869-18-3- PubChem CID
- 174249
- DTXSID
DTXSID20890400
Properties
Computed structural properties
- Topological polar surface area
- 206 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 20
- Heavy atoms
- 42
- Formal charge
- 0
- Complexity
- 821
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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