D-Cystine dimethyl ester diHCl - ≥95% , CAS No.144000-36-2

CAS: 144000-36-2 Cat. No.: D181505 Formula: C₈H₁₆N₂O₄S₂.2ClH Peso molecolare: 341.3 PubChem CID: 71463656

GRADE & PURITY ≥95%

Synonyms

(H-Cys-OMe)2.2HCl | (2R,2'R)-Dimethyl 3,3'-disulfanediylbis(2-aminopropanoate) dihydrochloride | Dimethyl L-cystinate dihydrochloride | S-144000-36-2 | (H-D-Cys-OMe) 2 HCl | DIMETHYL L-CYSTINATE 2HCL | D-Cystine,1,1'-dimethyl ester,hydrochloride(1:2) | D-

Storage

Room temperature

Shipped In

Normal

Specifications

Sinonimi

(H-Cys-OMe)2.2HCl | (2R,2'R)-Dimethyl 3,3'-disulfanediylbis(2-aminopropanoate) dihydrochloride | Dimethyl L-cystinate dihydrochloride | S-144000-36-2 | (H-D-Cys-OMe) 2 HCl | DIMETHYL L-CYSTINATE 2HCL | D-Cystine,1,1'-dimethyl ester,hydrochloride(1:2) | D-

Specifiche e purezza

≥95%

Condizioni di conservazione di stoccaggio

Room temperature

Spedito in

Normal

Purezza

≥95%

Nomi e identificatori

Pubchem Sid

488202247

Sorrisi canonici

COC(=O)C(CSSCC(C(=O)OC)N)N.Cl.Cl

IUPAC Name

methyl (2S)-2-amino-3-[[(2S)-2-amino-3-methoxy-3-oxopropyl]disulfanyl]propanoate;dihydrochloride

InChIKey

QKWGUPFPCRKKMQ-BNTLRKBRSA-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-;;/m1../s1

Isomeri SMILES

COC(=O)[C@@H](CSSC[C@H](C(=O)OC)N)N.Cl.Cl

PubChem CID

71463656

Peso molecolare

341.3

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Classe Carboxylic acids and derivatives
      • Subclass Amino acids, peptides, and analogues
        • Level5 Amino acids and derivatives
          • Level6 Alpha amino acids and derivatives
            • Level7 Alpha amino acid esters

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Classe: 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 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 oxide - Primary amine - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Primary aliphatic amine - Organic oxygen compound - Carbonyl group - Hydrochloride - Amine - Hydrocarbon derivative - Aliphatic acyclic compound
• Descrizione: 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

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Proprietà chimiche e fisiche

• Peso molecolare: 341.300 g/mol
• 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

XLogP3

Domande frequenti

What is the purity of this product?

This product is supplied at ≥95% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at room temperature.

How is this product shipped?

This product ships under standard ambient conditions. No temperature-controlled packaging is required.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 144000-36-2, the molecular formula is C8H18Cl2N2O4S2, and the molecular weight is 341.3 g/mol. InChIKey QKWGUPFPCRKKMQ-BNTLRKBRSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.