| Sonrisas canónicas | CC(CCCC1C2C(CS1)NC(=O)N2)C(=O)O |
|---|---|
| IUPAC Name | 2-methyl-5-(2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl)pentanoic acid |
| InChIKey | UBBSLIBPXCFHDN-UHFFFAOYSA-N |
| INCHI | 1S/C11H18N2O3S/c1-6(10(14)15)3-2-4-8-9-7(5-17-8)12-11(16)13-9/h6-9H,2-5H2,1H3,(H,14,15)(H2,12,13,16) |
| Peso molecular | 258.339 |
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organoheterocyclic compounds |
| Clase | Biotin and derivatives |
| Subclass | Not available |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Biotin and derivatives |
| Alternative Parents | Medium-chain fatty acids Thienoimidazolidines Heterocyclic fatty acids Methyl-branched fatty acids Thia fatty acids Imidazolidinones Thiophenes Thiolanes Ureas Monocarboxylic acids and derivatives Azacyclic compounds Dialkylthioethers Carboxylic acids Organopnictogen compounds Organonitrogen compounds Organic oxides Carbonyl compounds Hydrocarbon derivatives |
| Molecular Framework | Aliphatic heteropolycyclic compounds |
| Substituents | Biotin_derivative - Biotin - Thienoimidazolidine - Medium-chain fatty acid - Branched fatty acid - Heterocyclic fatty acid - Thia fatty acid - Methyl-branched fatty acid - Fatty acyl - Fatty acid - Imidazolidinone - Imidazolidine - Thiophene - Thiolane - Urea - Carbonic acid derivative - Azacycle - Dialkylthioether - Carboxylic acid derivative - Carboxylic acid - Thioether - Monocarboxylic acid or derivatives - Organic oxide - Organic nitrogen compound - Carbonyl group - Hydrocarbon derivative - Organopnictogen compound - Organonitrogen compound - Organooxygen compound - Organic oxygen compound - Aliphatic heteropolycyclic compound |
| Descripción | This compound belongs to the class of organic compounds known as biotin and derivatives. These are organic compounds containing a ureido (tetrahydroimidizalone) ring fused with a tetrahydrothiophene ring. |
| External Descriptors | Not available |
| Peso molecular | 258.339 g/mol |
|---|---|
| XLogP3 | 0.900 |
| Hydrogen Bond Donor Count | 3 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 5 |
| Exact Mass | 258.104 Da |
| Monoisotopic Mass | 258.104 Da |
| Topological Polar Surface Area | 104.000 Ų |
| Heavy Atom Count | 17 |
| Formal Charge | 0 |
| Complexity | 324.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 4 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 1 |
