Basic information
- CAS
874360-14-2- Standard SMILES
CCCCCCCCCCCCCCCCCCCCCCCCCCCCOC(=O)c1cccnc1- InChIKey
WBOPYTRINJPJRB-UHFFFAOYSA-N- Molecular formula
- C34H61NO2
- Average molar mass
- 515.9 g/mol
- Monoisotopic mass
- 515.47023019
Names & identifiers
- Preferred name
- 1-Octacosanyl nicotinate
- IUPAC
- octacosyl pyridine-3-carboxylate
Names & synonyms
1-octacosanyl nicotinate874360-14-2Octacosyl Pyridine-3-carboxylateSCHEMBL4275232DTXSID50470895WBOPYTRINJPJRB-UHFFFAOYSA-N
Database identifiers
- CAS
874360-14-2- PubChem CID
- 11706239
- DTXSID
DTXSID50470895
Properties
Computed structural properties
- XLogP
- 15.5
- Topological polar surface area
- 39.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 29
- Heavy atoms
- 37
- Formal charge
- 0
- Complexity
- 467
Related reactions
1 records
Compound notes
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