Determine the necessary mass, volume, or concentration for preparing a solution.
≥97% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Argon charged,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.
| Pubchem Sid | 504760882 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/504760882 |
| Canonical Smiles | COC(=O)C(CSSCC(C(=O)OC)N)N.Cl.Cl |
| IUPAC Name | methyl (2R)-2-amino-3-[[(2R)-2-amino-3-methoxy-3-oxopropyl]disulfanyl]propanoate;dihydrochloride |
| InChIKey | QKWGUPFPCRKKMQ-USPAICOZSA-N |
| INCHI | 1S/C8H16N2O4S2.2ClH/c1-13-7(11)5(9)3-15-16-4-6(10)8(12)14-2;;/h5-6H,3-4,9-10H2,1-2H3;2*1H/t5-,6-;;/m0../s1 |
| Isomeric SMILES | COC(=O)[C@H](CSSC[C@@H](C(=O)OC)N)N.Cl.Cl |
| WGK Germany | 3 |
| PubChem CID | 2724376 |
| Molecular Weight | 341.28 |
| Beilstein | 4727524 |
| Reaxy-Rn | 4727524 |
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 | Cysteine and derivatives Dicarboxylic acids and derivatives Methyl esters Dialkyldisulfides Sulfenyl compounds Organopnictogen compounds Organic oxides Monoalkylamines Hydrochlorides Hydrocarbon derivatives Carbonyl compounds |
| Molecular Framework | Aliphatic acyclic compounds |
| Substituents | Alpha-amino acid ester - Cysteine or derivatives - Dicarboxylic acid or derivatives - Methyl ester - Carboxylic acid ester - Organic disulfide - Dialkyldisulfide - Sulfenyl compound - Organic nitrogen compound - Hydrochloride - Hydrocarbon derivative - Primary amine - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organic oxide - Primary aliphatic amine - Organopnictogen compound - Organic oxygen compound - Carbonyl group - Amine - Aliphatic acyclic 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 |
Find and download the COA for your product by matching the lot number on the packaging.
| Lot Number | Certificate Type | Date | Item |
|---|---|---|---|
| Certificate of Analysis | Dec 10, 2025 | C117941 | |
| Certificate of Analysis | Dec 10, 2025 | C117941 | |
| Certificate of Analysis | Aug 12, 2025 | C117941 | |
| Certificate of Analysis | Aug 12, 2025 | C117941 | |
| Certificate of Analysis | Mar 17, 2025 | C117941 | |
| Certificate of Analysis | Feb 14, 2022 | C117941 |
| Sensitivity | Hygroscopic |
|---|---|
| Specific Rotation[α] | -41° (C=2,MeOH) |
| Melt Point(°C) | 182-183 °C |
| Molecular Weight | 341.300 g/mol |
| XLogP3 | |
| Hydrogen Bond Donor Count | 4 |
| Hydrogen Bond Acceptor Count | 8 |
| Rotatable Bond Count | 9 |
| Exact Mass | 340.009 Da |
| Monoisotopic Mass | 340.009 Da |
| Topological Polar Surface Area | 155.000 Ų |
| Heavy Atom Count | 18 |
| Formal Charge | 0 |
| Complexity | 216.000 |
| 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 | 3 |