≥95% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Room temperature Ships Normal 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.
| Canonical Smiles | CC(C(C(=O)OCC1=CC=CC=C1)N)OCC2=CC=CC=C2.C(=O)(C(=O)O)O |
|---|---|
| IUPAC Name | benzyl (2S,3R)-2-amino-3-phenylmethoxybutanoate;oxalic acid |
| InChIKey | IIAVXHHGVJCFKI-CVLQQERVSA-N |
| INCHI | 1S/C18H21NO3.C2H2O4/c1-14(21-12-15-8-4-2-5-9-15)17(19)18(20)22-13-16-10-6-3-7-11-16;3-1(4)2(5)6/h2-11,14,17H,12-13,19H2,1H3;(H,3,4)(H,5,6)/t14-,17+;/m1./s1 |
| Isomeric SMILES | C[C@H]([C@@H](C(=O)OCC1=CC=CC=C1)N)OCC2=CC=CC=C2.C(=O)(C(=O)O)O |
| PubChem CID | 46856342 |
| Molecular Weight | 389.4 |
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 |
| Class | Carboxylic acids and derivatives |
| Subclass | Amino acids, peptides, and analogues |
| Intermediate Tree Nodes | Amino acids and derivatives - Alpha amino acids and derivatives |
| Direct Parent | Alpha amino acid esters |
| Alternative Parents | Benzyloxycarbonyls Benzylethers Fatty acid esters Dicarboxylic acids and derivatives Carboxylic acid esters Dialkyl ethers Carboxylic acids Organic oxides Monoalkylamines Hydrocarbon derivatives Carbonyl compounds |
| Molecular Framework | Not available |
| Substituents | Alpha-amino acid ester - Benzyloxycarbonyl - Benzylether - Fatty acid ester - Monocyclic benzene moiety - Fatty acyl - Benzenoid - Dicarboxylic acid or derivatives - Carboxylic acid ester - Carboxylic acid - Dialkyl ether - Ether - Organooxygen compound - Amine - Organic nitrogen compound - Primary amine - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organonitrogen compound - Primary aliphatic amine - Aromatic homomonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as alpha amino acid esters. These are ester derivatives of alpha amino acids. |
| External Descriptors | Not available |
| Molecular Weight | 389.400 g/mol |
|---|---|
| XLogP3 | |
| Hydrogen Bond Donor Count | 3 |
| Hydrogen Bond Acceptor Count | 8 |
| Rotatable Bond Count | 9 |
| Exact Mass | 389.147 Da |
| Monoisotopic Mass | 389.147 Da |
| Topological Polar Surface Area | 136.000 Ų |
| Heavy Atom Count | 28 |
| Formal Charge | 0 |
| Complexity | 394.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 2 |
| 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 | 2 |
