L-Cysteine-sulfone - ≥95% , CAS No.30452-69-8

CAS: 30452-69-8 Cat. No.: L335404 Molecular Weight: 272.3

GRADE & PURITY ≥95%

Synonyms

L-Cystine S,S-dioxide | cystine s,s-dioxide | CYSTINE S,S-DIOXIDE, L- | Cystine S-Dioxide | (2R)-2-amino-3-[(2R)-2-amino-2-carboxyethyl]sulfonylsulfanylpropanoic acid | L-CYSTEINE, S-ESTER WITH 3-(THIOSULFO)-L-ALANINE | DTXSID701314203 | Sacsyl-cysteine |

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Specifications

Synonyms

L-Cystine S, S-dioxide | cystine s, s-dioxide | CYSTINE S, S-DIOXIDE, L- | Cystine S-Dioxide | (2R)-2-amino-3-[(2R)-2-amino-2-carboxyethyl]sulfonylsulfanylpropanoic acid | L-CYSTEINE, S-ESTER WITH 3-(THIOSULFO)-L-ALANINE | DTXSID701314203 | Sacsyl-cysteine |

Specifications & Purity

≥95%

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

This product requires cold chain shipping. Ground and other economy services are not available.

Purity

≥95%

Names and Identifiers

• Pubchem Sid: 488200853
• Canonical Smiles: C(C(C(=O)O)N)SS(=O)(=O)CC(C(=O)O)N
• IUPAC Name: (2R)-2-amino-3-[(2R)-2-amino-2-carboxyethyl]sulfonylsulfanylpropanoic acid
• InChIKey: RXQXJZDPDXVIEN-IMJSIDKUSA-N
• INCHI: 1S/C6H12N2O6S2/c7-3(5(9)10)1-15-16(13,14)2-4(8)6(11)12/h3-4H,1-2,7-8H2,(H,9,10)(H,11,12)/t3-,4-/m0/s1
• Isomeric SMILES: C([C@@H](C(=O)O)N)SS(=O)(=O)C[C@@H](C(=O)O)N
• Molecular Weight: 272.3
• Reaxy-Rn: 2335826
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2335826&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: L-alpha-amino acids Dicarboxylic acids and derivatives Sulfonyls Quaternary ammonium salts Carboxylic acid salts Sulfenyl compounds Carboxylic acids Organic zwitterions Organic salts Organic oxides Monoalkylamines Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Cysteine or derivatives - Alpha-amino acid - L-alpha-amino acid - Dicarboxylic acid or derivatives - Quaternary ammonium salt - Sulfonyl - Carboxylic acid salt - Sulfenyl compound - Carboxylic acid - Organic salt - Organic zwitterion - Organic nitrogen compound - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Primary aliphatic amine - Organic oxygen compound - Carbonyl group - Amine - Organic oxide - Hydrocarbon derivative - 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: 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

Chemical and Physical Properties

• Solubility: Soluble in Water
• Sensitivity: Moisture sensitive
• Melt Point(°C): >180° C (dec.)
• Molecular Weight: 272.300 g/mol
• XLogP3: -7.100
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 9
• Rotatable Bond Count: 7
• Exact Mass: 272.014 Da
• Monoisotopic Mass: 272.014 Da
• Topological Polar Surface Area: 194.000 Ų
• Heavy Atom Count: 16
• Formal Charge: 0
• Complexity: 362.000
• 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