≥98% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Store at -20°C,Desiccated Ships Ice chest + Ice pads Check lot-specific COA for exact specifications.
SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.
Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
Store at -20°C. Store under desiccating conditions. The product can be stored for up to 12 months.
| Sonrisas canónicas | C1=CC=C(C=C1)COC(=O)NC(CC(=O)O)C(=O)COC(=O)C2=C(C=CC=C2Cl)Cl |
|---|---|
| IUPAC Name | (3S)-5-(2,6-dichlorobenzoyl)oxy-4-oxo-3-(phenylmethoxycarbonylamino)pentanoic acid |
| InChIKey | FKJMFCOMZYPWCO-HNNXBMFYSA-N |
| INCHI | 1S/C20H17Cl2NO7/c21-13-7-4-8-14(22)18(13)19(27)29-11-16(24)15(9-17(25)26)23-20(28)30-10-12-5-2-1-3-6-12/h1-8,15H,9-11H2,(H,23,28)(H,25,26)/t15-/m0/s1 |
| Isómeros SMILES | C1=CC=C(C=C1)COC(=O)N[C@@H](CC(=O)O)C(=O)COC(=O)C2=C(C=CC=C2Cl)Cl |
| PubChem CID | 9911778 |
| Peso molecular | 454.26 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
Download SDS →Lot-specific quality data. Enter your lot number to retrieve the exact COA.
Look up COA →Full quality attributes and acceptance criteria for this grade.
View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Benzenoids |
| Clase | Benzene and substituted derivatives |
| Subclass | Benzoic acids and derivatives |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Benzoic acid esters |
| Alternative Parents | 2-halobenzoic acids and derivatives Benzyloxycarbonyls Benzoyl derivatives Dichlorobenzenes Gamma-keto acids and derivatives Aryl chlorides Monosaccharides Vinylogous halides Carbamate esters Carboxylic acid esters Ketones Carboxylic acids Monocarboxylic acids and derivatives Hydrocarbon derivatives Organic oxides Organochlorides Organonitrogen compounds |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Substituents | Benzoate ester - Halobenzoic acid or derivatives - 2-halobenzoic acid or derivatives - Benzyloxycarbonyl - Benzoyl - 1,3-dichlorobenzene - Gamma-keto acid - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - Monosaccharide - Keto acid - Vinylogous halide - Carbamic acid ester - Carboxylic acid ester - Ketone - Carboxylic acid - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Organohalogen compound - Organochloride - Organonitrogen compound - Carbonyl group - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Aromatic homomonocyclic compound |
| Descripción | This compound belongs to the class of organic compounds known as benzoic acid esters. These are ester derivatives of benzoic acid. |
| External Descriptors | Not available |
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
| Solubilidad | Soluble in DMSO to 10 mM |
|---|---|
| Peso molecular | 454.300 g/mol |
| XLogP3 | 3.600 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 7 |
| Rotatable Bond Count | 11 |
| Exact Mass | 453.038 Da |
| Monoisotopic Mass | 453.038 Da |
| Topological Polar Surface Area | 119.000 Ų |
| Heavy Atom Count | 30 |
| Formal Charge | 0 |
| Complexity | 614.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 1 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 1 |
