| Sonrisas canónicas | CCCCCCCCCCCCCC1(N(C(CO1)(C)C)[O])CCCC(=O)O |
|---|---|
| InChIKey | PYDZKXQLRMNQFK-UHFFFAOYSA-N |
| INCHI | 1S/C22H42NO4/c1-4-5-6-7-8-9-10-11-12-13-14-17-22(18-15-16-20(24)25)23(26)21(2,3)19-27-22/h4-19H2,1-3H3,(H,24,25) |
| Isómeros SMILES | CCCCCCCCCCCCCC1(N(C(CO1)(C)C)[O])CCCC(=O)O |
| PubChem CID | 2724323 |
| Peso molecular | 384.57 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Lipids and lipid-like molecules |
| Clase | Fatty Acyls |
| Subclass | Fatty acids and conjugates |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Long-chain fatty acids |
| Alternative Parents | Heterocyclic fatty acids Amino fatty acids Oxazolidines Oxacyclic compounds Monocarboxylic acids and derivatives Carboxylic acids Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds |
| Molecular Framework | Aliphatic heteromonocyclic compounds |
| Substituents | Long-chain fatty acid - Amino fatty acid - Heterocyclic fatty acid - Oxazolidine - Carboxylic acid derivative - Carboxylic acid - Monocarboxylic acid or derivatives - Organoheterocyclic compound - Azacycle - Oxacycle - Organonitrogen compound - Carbonyl group - Organopnictogen compound - Organooxygen compound - Organic oxide - Organic nitrogen compound - Organic oxygen compound - Hydrocarbon derivative - Aliphatic heteromonocyclic compound |
| Descripción | This compound belongs to the class of organic compounds known as long-chain fatty acids. These are fatty acids with an aliphatic tail that contains between 13 and 21 carbon atoms. |
| External Descriptors | Not available |
| Peso molecular | 384.600 g/mol |
|---|---|
| XLogP3 | 4.600 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 16 |
| Exact Mass | 384.311 Da |
| Monoisotopic Mass | 384.311 Da |
| Topological Polar Surface Area | 50.800 Ų |
| Heavy Atom Count | 27 |
| Formal Charge | 0 |
| Complexity | 413.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 1 |
