Disodium 4-oxo-4-((3-(pentadecyloxy)propyl)amino)-2(or 3)-sulphonatobutyrate
Basic information
- CAS
68928-83-6- Standard SMILES
CCCCCCCCCCCCCCCOCCCNC(=O)C(CC(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+]- InChIKey
ZMUSQSKAEKXMBZ-UHFFFAOYSA-L- Molecular formula
- C22H41NNa2O7S
- Average molar mass
- 509.6 g/mol
- Monoisotopic mass
- 509.23991238
Names & identifiers
- Preferred name
- Disodium 4-oxo-4-((3-(pentadecyloxy)propyl)amino)-2(or 3)-sulphonatobutyrate
- IUPAC
- disodium;4-oxo-4-(3-pentadecoxypropylamino)-3-sulfonatobutanoate
Names & synonyms
Disodium 4-oxo-4-((3-(pentadecyloxy)propyl)amino)-2(or 3)-sulphonatobutyrateNS00120670
Database identifiers
- CAS
68928-83-6- PubChem CID
- 111453
Properties
Computed structural properties
- Topological polar surface area
- 144 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 20
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 542
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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