Basic information
- CAS
72333-18-7- Standard SMILES
CCCCCCCCC=CCCCCCCCC1=NCC[N+]1(CCO)CC(O)CS(=O)(=O)[O-]- InChIKey
POQLNQCVRMATQD-UHFFFAOYSA-N- Molecular formula
- C25H48N2O5S
- Average molar mass
- 488.7 g/mol
- Monoisotopic mass
- 488.32839381
Names & identifiers
- Preferred name
- 3-[2-Heptadec-8-enyl-1-(2-hydroxyethyl)-4,5-dihydroimidazol-1-ium-1-yl]-2-hydroxypropane-1-sulfonate
- IUPAC
- 3-[2-heptadec-8-enyl-1-(2-hydroxyethyl)-4,5-dihydroimidazol-1-ium-1-yl]-2-hydroxypropane-1-sulfonate
Database identifiers
- CAS
72333-18-7- PubChem CID
- 175035
Properties
Computed structural properties
- XLogP
- 4.7
- Topological polar surface area
- 118 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 20
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 647
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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