Basic information
- CAS
71929-12-9- Standard SMILES
CCCCCCCCCCCCCCCCCC1=NCC[N+]1(CCO)CC(O)CS(=O)(=O)O- InChIKey
YMUSEVGAQNYSBL-UHFFFAOYSA-O- Molecular formula
- C25H51N2O5S+
- Average molar mass
- 491.7 g/mol
- Monoisotopic mass
- 491.35186891
Names & identifiers
- Preferred name
- 2-Heptadecyl-4,5-dihydro-1-(2-hydroxyethyl)-1-(2-hydroxy-3-sulfopropyl)-1H-imidazolium
- IUPAC
- 3-[2-heptadecyl-1-(2-hydroxyethyl)-4,5-dihydroimidazol-1-ium-1-yl]-2-hydroxypropane-1-sulfonic acid
Names & synonyms
DTXSID7013741782-Heptadecyl-4,5-dihydro-1-(2-hydroxyethyl)-1-(2-hydroxy-3-sulfopropyl)-1H-imidazolium71929-12-9
Database identifiers
- CAS
71929-12-9- PubChem CID
- 84374
- DTXSID
DTXSID701374178
Properties
Computed structural properties
- XLogP
- 5.7
- Topological polar surface area
- 116 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 22
- Heavy atoms
- 33
- Formal charge
- 1
- Complexity
- 621
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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