Basic information
- CAS
59219-59-9- Standard SMILES
CCCCCCCCCCCCNC(=O)C(CC(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+]- InChIKey
GGHVFDJJIUCVRQ-UHFFFAOYSA-L- Molecular formula
- C16H29NNa2O6S
- Average molar mass
- 409.5 g/mol
- Monoisotopic mass
- 409.15109738
Names & identifiers
- Preferred name
- Disodium 4-(dodecylamino)-4-oxo-3-sulfobutyrate
- IUPAC
- disodium;4-(dodecylamino)-4-oxo-3-sulfonatobutanoate
Names & synonyms
Disodium 4-(dodecylamino)-4-oxo-3-sulfobutyrate59219-59-94-(Dodecylamino)-4-oxo-3-sulfobutanoic acid, disodium saltButenoic acid, 4-(dodecylamino)-4-oxo-3-sulfo-, disodium saltNS00125438Butanoic acid, 4-(dodecylamino)-4-oxo-3-sulfo-, disodium salt
Database identifiers
- CAS
59219-59-9- PubChem CID
- 62149
Properties
Computed structural properties
- Topological polar surface area
- 135 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 13
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 439
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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