1-(4-Oxo-3,4-dihydropyridinium-1-yl)-3,5,8,11-tetraoxa-4-phosphatricosan-4-olate
Basic information
- CAS
81051-35-6- Standard SMILES
CCCCCCCCCCCCOCCOCCOP([O-])OCC[N+]1=CCC(=O)C=C1- InChIKey
JHTGIEJZDOSLEJ-UHFFFAOYSA-N- Molecular formula
- C23H42NO6P
- Average molar mass
- 459.6 g/mol
- Monoisotopic mass
- 459.27497506
Names & identifiers
- Preferred name
- 1-(4-Oxo-3,4-dihydropyridinium-1-yl)-3,5,8,11-tetraoxa-4-phosphatricosan-4-olate
- IUPAC
- 2-(2-dodecoxyethoxy)ethyl 2-(4-oxo-3H-pyridin-1-ium-1-yl)ethyl phosphite
Names & synonyms
1-(4-oxo-3,4-dihydropyridinium-1-yl)-3,5,8,11-tetraoxa-4-phosphatricosan-4-olate85540-96-11-(4-Oxo-3,4-dihydropyridin-1-ium-1-yl)-3,5,8,11-tetraoxa-4-phosphatricosan-4-olateSCHEMBL29725058DTXSID50276339DTXSID401001738
Database identifiers
- CAS
81051-35-6、85540-96-1- PubChem CID
- 133597
- DTXSID
DTXSID401001738
Properties
Computed structural properties
- XLogP
- 4
- Topological polar surface area
- 80.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 22
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 500
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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