Boc-L-cysteine - ≥98% , CAS No.20887-95-0

CAS: 20887-95-0 Cat. No.: B484479 分子式: C₈H₁₅NO₄S 分子量: 221.27 Beilstein Registry Number: 2450705

グレード＆純度 ≥98%

Synonyms

Boc-Cys-OH | AKOS015895914 | (R)-2-TERT-BUTOXYCARBONYLAMINO-3-MERCAPTO-PROPIONIC ACID | A815004 | MONOBUTYRIN, (+/-)- | (2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-sulfanylpropanoic acid | (R)-2-((TERT-BUTOXYCARBONYL)AMINO)-3-MERCAPTOPROPANOIC ACID |

Storage

Store at 2-8°C,Protected from light,Argon charged

Shipped In

Wet ice

仕様

同義語

Boc-Cys-OH | AKOS015895914 | (R)-2-TERT-BUTOXYCARBONYLAMINO-3-MERCAPTO-PROPIONIC ACID | A815004 | MONOBUTYRIN, (+/-)- | (2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-sulfanylpropanoic acid | (R)-2-((TERT-BUTOXYCARBONYL)AMINO)-3-MERCAPTOPROPANOIC ACID |

仕様と純度

≥98%

保管条件

Store at 2-8°C,Protected from light,Argon charged

入荷

Wet ice

この製品は冷冷この冷このこの製品の運送が必要です。地上およびその他の経済サービスは利用できません。

純度

≥98%

名前と識別子

パブケム・シド

528763602

パブケム・シド・ウル

https://pubchem.ncbi.nlm.nih.gov/substance/528763602

カノニカル・スマイル

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

異性体SMILES

CC(C)(C)OC(=O)N[C@@H](CS)C(=O)O

WGKドイツ

3

分子量

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
    • 分類 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
• 分類: 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
• 説明: 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

化学的性質と物理的性質

• 感度: Air sensitive; Heat sensitive
• 融点（°C）: 68 °C
• 分子量: 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