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

CAS: 20887-95-0 Cat. No.: B484479 분자식: C₈H₁₅NO₄S 분자량: 221.27 Beilstein Registry Number: 2450705

GRADE & PURITY ≥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

Specifications

동의어

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 |

사양 및 순도

≥98%

보관 조건

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

배송

Wet ice

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순수함

≥98%

이름과 식별자

Pubchem Sid

528763602

Pubchem Sid Url

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

정식 스마일

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

이성체 SMILES

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

WGK 독일

3

분자량

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
    • 분류 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
• 분류: 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
• 설명: 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

화학 및 물리적 특성

• 감도: Air sensitive; Heat sensitive
• 녹는점(°C): 68 °C
• 분자량: 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