D-Homocystine - ≥98% , CAS No.6027-15-2

CAS: 6027-15-2 Cat. No.: D133938 Peso molecular: 268.35

GRADE & PURITY ≥98%

Synonyms

NSC-11337 | Q5T8GG4YC6 | (2R,2'R)-4,4'-Dithiobis[2-aminobutanoic acid] | NSC-206271 | (S)-1-(N-(1-(Ethoxycarbonyl)-3-phenylpropyl)-L-alanyl)-L-proline | Butyric acid, 4,4'-dithiobis(2-amino-, DL- | SMR000058844 | UNII-Q5T8GG4YC6 | (2R,2'R)-4,4'-Disulfaned

Storage

Room temperature

Shipped In

Normal

Specifications

Sinónimos

NSC-11337 | Q5T8GG4YC6 | (2R, 2'R)-4, 4'-Dithiobis[2-aminobutanoic acid] | NSC-206271 | (S)-1-(N-(1-(Ethoxycarbonyl)-3-phenylpropyl)-L-alanyl)-L-proline | Butyric acid, 4, 4'-dithiobis(2-amino-, DL- | SMR000058844 | UNII-Q5T8GG4YC6 | (2R, 2'R)-4, 4'-Disulfaned

Especificaciones y pureza

≥98%

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Pureza

≥98%

Nombres e identificadores

• Pubchem Sid: 488198056
• Sonrisas canónicas: C(CSSCCC(C(=O)O)N)C(C(=O)O)N
• IUPAC Name: (2R)-2-amino-4-[[(3R)-3-amino-3-carboxypropyl]disulfanyl]butanoic acid
• InChIKey: ZTVZLYBCZNMWCF-PHDIDXHHSA-N
• INCHI: 1S/C8H16N2O4S2/c9-5(7(11)12)1-3-15-16-4-2-6(10)8(13)14/h5-6H,1-4,9-10H2,(H,11,12)(H,13,14)/t5-,6-/m1/s1
• Isómeros SMILES: C(CSSCC[C@H](C(=O)O)N)[C@H](C(=O)O)N
• Peso molecular: 268.35
• Reaxy-Rn: 1728581
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1728581&ln=

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 acids
              • Level8 D-alpha-amino acids

• 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: Thia fatty acids Dicarboxylic acids and derivatives Dialkyldisulfides Amino acids Sulfenyl compounds Carboxylic acids Organic oxides Monoalkylamines Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: D-alpha-amino acid - Thia fatty acid - Dicarboxylic acid or derivatives - Fatty acyl - Fatty acid - Amino acid - Organic disulfide - Dialkyldisulfide - Carboxylic acid - Sulfenyl compound - Organic oxygen compound - Primary amine - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Primary aliphatic amine - Hydrocarbon derivative - Organic oxide - Carbonyl group - Amine - Aliphatic acyclic 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

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: 268.400 g/mol
• XLogP3: -5.600
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 9
• Exact Mass: 268.055 Da
• Monoisotopic Mass: 268.055 Da
• Topological Polar Surface Area: 177.000 Ų
• Heavy Atom Count: 16
• 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: 1