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

CAS: 144000-36-2 Cat. No.: D181505 Peso molecular: 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

Sinónimos

(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-

Especificaciones y pureza

≥95%

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Pureza

≥95%

Nombres e identificadores

• Pubchem Sid: 488202247
• Sonrisas canónicas: 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
• Isómeros SMILES: COC(=O)[C@@H](CSSC[C@H](C(=O)OC)N)N.Cl.Cl
• PubChem CID: 71463656
• Peso molecular: 341.3

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Clase 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
• Clase: 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
• Descripción: 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

Propiedades químicas y físicas

• Peso molecular: 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