≥95% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Room temperature Ships 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.
| Sonrisas canónicas | CC(=CC(=O)OC)NC(C1=CCC=CC1)C(=O)[O-].[Na+] |
|---|---|
| IUPAC Name | sodium;(2R)-2-cyclohexa-1,4-dien-1-yl-2-[[(E)-4-methoxy-4-oxobut-2-en-2-yl]amino]acetate |
| InChIKey | XWVDGMIXJIIFTO-UYZIEVLVSA-M |
| INCHI | 1S/C13H17NO4.Na/c1-9(8-11(15)18-2)14-12(13(16)17)10-6-4-3-5-7-10;/h3-4,7-8,12,14H,5-6H2,1-2H3,(H,16,17);/q;+1/p-1/b9-8+;/t12-;/m1./s1 |
| Isómeros SMILES | C/C(=C\C(=O)OC)/N[C@H](C1=CCC=CC1)C(=O)[O-].[Na+] |
| PubChem CID | 5702583 |
| Peso molecular | 273.27 |
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 | Organic acids and derivatives |
| Clase | Carboxylic acids and derivatives |
| Subclass | Amino acids, peptides, and analogues |
| Intermediate Tree Nodes | Amino acids and derivatives - Alpha amino acids and derivatives - Alpha amino acids |
| Direct Parent | D-alpha-amino acids |
| Alternative Parents | Fatty acid esters Dicarboxylic acids and derivatives Vinylogous amides Methyl esters Enoate esters Carboxylic acid salts Enamines Dialkylamines Carboxylic acids Organic sodium salts Organic oxides Hydrocarbon derivatives Carbonyl compounds Organic cations |
| Molecular Framework | Aliphatic homomonocyclic compounds |
| Substituents | D-alpha-amino acid - Fatty acid ester - Dicarboxylic acid or derivatives - Fatty acyl - Vinylogous amide - Alpha,beta-unsaturated carboxylic ester - Enoate ester - Methyl ester - Carboxylic acid ester - Carboxylic acid salt - Carboxylic acid - Secondary aliphatic amine - Organic alkali metal salt - Enamine - Amine - Carbonyl group - Organooxygen compound - Organonitrogen compound - Organic salt - Organic sodium salt - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Organic cation - Aliphatic homomonocyclic compound |
| Descripción | This compound belongs to the class of organic compounds known as d-alpha-amino acids. These are alpha amino acids which have the D-configuration of the alpha-carbon atom. |
| External Descriptors | Not available |
| Peso molecular | 273.260 g/mol |
|---|---|
| XLogP3 | |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 6 |
| Exact Mass | 273.098 Da |
| Monoisotopic Mass | 273.098 Da |
| Topological Polar Surface Area | 78.500 Ų |
| Heavy Atom Count | 19 |
| Formal Charge | 0 |
| Complexity | 426.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 1 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 1 |
| Covalently-Bonded Unit Count | 2 |
