Boc-Cys-OH - pour la dérivatisation chirale, ≥98,5% , CAS No.20887-95-0

CAS: 20887-95-0 Cat. No.: B132555 Formule: C₈H₁₅NO₄S Poids moléculaire: 221.27 Beilstein Registry Number: 2450705

GRADE & PURITY for chiral derivatization, ≥98.5%

Synonyms

Boc-L-cystéine|20887-95-0|Boc-Cys-OH|N-Boc-L-Cystéine|(R)-2-((TERT-BUTOXYCARBONYL)AMINO)-3-MERCAPTOPROPANOIC ACID|N-tert-Butyloxycarbonylcystéine|(2R)-2-[(2-méthylpropan-2-yl)oxycarbonylamino]-3-sulfanylpropanoïque|N-ALPHA-T-BUTYLOXYCARBONYL-L-CYSTEINE

Storage

Room temperature

Shipped In

Normal

Vue d’ensemble

La Boc-L-cystéine (Boc-Cys-OH) est un solvant chromatographique de qualité HPLC (High Performance Liquid Chromatography)
La Boc-L-cystéine (Boc-Cys-OH) peut être utilisée comme solvant chromatographique, dans une étude expérimentale réalisée pour étudier la biosynthèse du S-(3-hexan-1-ol)-glutathion (3MH-S-glut) et de la S-(3-hexan-l-ol)-L-cystéine (3MH-S-cys), qui agissent comme précurseurs d'arôme dans les vins, dans les raisins de Vitis vinifera exposés à divers stress environnementaux.

Specifications

Synonymes

Boc-L-cystéine | 20887-95-0 | Boc-Cys-OH | N-Boc-L-Cystéine | (R)-2-((TERT-BUTOXYCARBONYL)AMINO)-3-MERCAPTOPROPANOIC ACID | N-tert-Butyloxycarbonylcystéine | (2R)-2-[(2-méthylpropan-2-yl)oxycarbonylamino]-3-sulfanylpropanoïque | N-ALPHA-T-BUTYLOXYCARBONYL-L-CYSTEINE

Spécifications et pureté

pour la dérivatisation chirale, ≥98,5%

Conditions de stockage de stockage

Room temperature

Expédié en

Normal

Grade

pour la dérivatisation chirale

Pureté

≥98.5%

Noms et identifiants

• Pubchem Sid: 508810841
• Sourires canoniques: CC(C)(C)OC(=O)NC(CS)C(=O)O
• IUPAC Name: (2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-sulfanylpropanoic acid
• InChIKey: ATVFTGTXIUDKIZ-YFKPBYRVSA-N
• INCHI: 1S/C8H15NO4S/c1-8(2,3)13-7(12)9-5(4-14)6(10)11/h5,14H,4H2,1-3H3,(H,9,12)(H,10,11)/t5-/m0/s1
• Isomères SMILES: CC(C)(C)OC(=O)N[C@@H](CS)C(=O)O
• WGK Allemagne: 3
• Poids moléculaire: 221.27
• Beilstein: 2450705
• Reaxy-Rn: 2450705
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2450705&ln=

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 Cysteine and derivatives

• 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: Cysteine and derivatives
• Alternative Parents: Carbamate esters Organic carbonic acids and derivatives Monocarboxylic acids and derivatives Carboxylic acids Alkylthiols Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Cysteine or derivatives - Carbamic acid ester - Carbonic acid derivative - Alkylthiol - Carboxylic acid - Monocarboxylic acid or derivatives - Organic nitrogen compound - Hydrocarbon derivative - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organic oxide - Organopnictogen compound - Organic oxygen compound - Carbonyl group - 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

Propriétés chimiques et physiques

• Point de fusion (°C): 68 °C
• Poids moléculaire: 221.280 g/mol
• XLogP3: 0.800
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 5
• Exact Mass: 221.072 Da
• Monoisotopic Mass: 221.072 Da
• Topological Polar Surface Area: 76.600 Ų
• Heavy Atom Count: 14
• Formal Charge: 0
• Complexity: 224.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 1
• 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