2-(Benzoyloxy)-3-(octadecyloxy)propyl 3-pyridiniopropyl phosphate
Basic information
- Standard SMILES
CCCCCCCCCCCCCCCCCCOCC(COP(=O)([O-])OCCC[n+]1ccccc1)OC(=O)c1ccccc1- InChIKey
SYBUQNJCQYQPFK-UHFFFAOYSA-N- Molecular formula
- C36H58NO7P
- Average molar mass
- 647.8 g/mol
- Monoisotopic mass
- 647.39509019
Names & identifiers
- Preferred name
- 2-(Benzoyloxy)-3-(octadecyloxy)propyl 3-pyridiniopropyl phosphate
- IUPAC
- (2-benzoyloxy-3-octadecoxypropyl) 3-pyridin-1-ium-1-ylpropyl phosphate
Names & synonyms
SCHEMBL10599353SYBUQNJCQYQPFK-UHFFFAOYSA-N2-(benzoyloxy)-3-(octadecyloxy)propyl 3-pyridiniopropyl phosphate
Database identifiers
- PubChem CID
- 20159403
Properties
Computed structural properties
- XLogP
- 10.2
- Topological polar surface area
- 98 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 30
- Heavy atoms
- 45
- Formal charge
- 0
- Complexity
- 735
Related reactions
1 records
Compound notes
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