D-Cystine - ≥98% , CAS No.349-46-2

CAS: 349-46-2 Cat. No.: C103190 Formula: C₆H₁₂N₂O₄S₂ Molecular Weight: 240.3 Beilstein Registry Number: 1728093 EC Number: 206-486-2

GRADE & PURITY ≥98%

Synonyms

D-Cystine, 98% | C6H12N2O4S2 | Cystine DL-form | Ameziniummetilsulfat | NCGC00166007-01 | Z1269180278 | C-9760 | Niaprazine [INN:DCF] | DTXSID301031752 | NSC-203781 | D-CYSTINE [MI] | KX1RHN0Y0B | BP-13238 | (S,S)-3,3'-Dithiobis(2-aminopropionic acid) | F

Storage

Room temperature

Shipped In

Normal

Overview

D-Cystine is the D-enantiomer of L-Cystine. D-Cystine inhibits L-aspartate-β-semialdehyde dehydrogenase (ASADH) from Escherichia coli.

Specifications

Synonyms

D-Cystine, 98% | C6H12N2O4S2 | Cystine DL-form | Ameziniummetilsulfat | NCGC00166007-01 | Z1269180278 | C-9760 | Niaprazine [INN:DCF] | DTXSID301031752 | NSC-203781 | D-CYSTINE [MI] | KX1RHN0Y0B | BP-13238 | (S,S)-3,3'-Dithiobis(2-aminopropionic acid) | F

Specifications & Purity

≥98%

Storage

Room temperature

Shipped In

Normal

Action Type

INHIBITOR

Purity

≥98%

Names and Identifiers

Pubchem Sid

504764320

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504764320

Canonical Smiles

C(C(C(=O)O)N)SSCC(C(=O)O)N

IUPAC Name

(2S)-2-amino-3-[[(2S)-2-amino-2-carboxyethyl]disulfanyl]propanoic acid

InChIKey

LEVWYRKDKASIDU-QWWZWVQMSA-N

INCHI

1S/C6H12N2O4S2/c7-3(5(9)10)1-13-14-2-4(8)6(11)12/h3-4H,1-2,7-8H2,(H,9,10)(H,11,12)/t3-,4-/m1/s1

Isomeric SMILES

C([C@H](C(=O)O)N)SSC[C@H](C(=O)O)N

WGK Germany

1

UN Number

3265

Molecular Weight

240.3

Beilstein

1728093

Reaxy-Rn

1728091

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1728091&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Class Carboxylic acids and derivatives
      • Subclass Amino acids, peptides, and analogues
        • Level5 Amino acids and derivatives
          • Level6 Alpha amino acids and derivatives
            • Level7 Cysteine and derivatives

• 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: Cysteine and derivatives
• Alternative Parents: D-alpha-amino acids Dicarboxylic acids and derivatives Dialkyldisulfides Amino acids Sulfenyl compounds Carboxylic acids Organopnictogen compounds Organic oxides Monoalkylamines Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Cysteine or derivatives - Alpha-amino acid - D-alpha-amino acid - Dicarboxylic acid or derivatives - Organic disulfide - Dialkyldisulfide - Amino acid - Sulfenyl compound - Carboxylic acid - Organopnictogen compound - Organic nitrogen compound - Primary amine - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Primary aliphatic amine - Organic oxygen compound - Carbonyl group - Hydrocarbon derivative - Amine - Organic oxide - Aliphatic acyclic compound
• Description: This compound belongs to the class of organic compounds known as cysteine and derivatives. These are compounds containing cysteine or a derivative thereof resulting from reaction of cysteine at the amino group or the carboxy group, or from the replacement of any hydrogen of glycine by a heteroatom.
• External Descriptors: cystine

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

Chemical and Physical Properties

• Melt Point(°C): 265°C
• Molecular Weight: 240.300 g/mol
• XLogP3: -6.300
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 7
• Exact Mass: 240.024 Da
• Monoisotopic Mass: 240.024 Da
• Topological Polar Surface Area: 177.000 Ų
• Heavy Atom Count: 14
• Formal Charge: 0
• Complexity: 192.000
• 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