3-[(3-{(2-Carboxyethyl)[(perfluorododecyl)sulfonyl]amino}propyl)(dimethyl)azaniumyl]propanoate
Basic information
- Standard SMILES
C[N+](C)(CCCN(CCC(=O)O)S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)CCC(=O)[O-]- InChIKey
IWYJOULLBGXDGP-UHFFFAOYSA-N- Molecular formula
- C23H21F25N2O6S
- Average molar mass
- 928.4 g/mol
- Monoisotopic mass
- 928.0721116
Names & identifiers
- Preferred name
- 3-[(3-{(2-Carboxyethyl)[(perfluorododecyl)sulfonyl]amino}propyl)(dimethyl)azaniumyl]propanoate
- IUPAC
- 3-[3-[2-carboxyethyl(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,12-pentacosafluorododecylsulfonyl)amino]propyl-dimethylazaniumyl]propanoate
Names & synonyms
DTXSID5010348713-[(3-{(2-Carboxyethyl)[(perfluorododecyl)sulfonyl]amino}propyl)(dimethyl)azaniumyl]propanoate
Database identifiers
- PubChem CID
- 165364530
- DTXSID
DTXSID501034871
Properties
Computed structural properties
- XLogP
- 8.2
- Topological polar surface area
- 123 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 32
- Rotatable bonds
- 21
- Heavy atoms
- 57
- Formal charge
- 0
- Complexity
- 1,570
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…