Boc-Lys(Ac)-OH - Reagent grade , CAS No.6404-26-8

CAS: 6404-26-8 Cat. No.: B433194 Fórmula: C₁₃H₂₄N₂O₅ Peso molecular: 288.34

GRADE & PURITY Reagent Grade

Synonyms

Boc-L-Lys(Ac)-OH | Boc-N-epsilon-acetyl-L-lysine | M03307 | (2S)-6-acetamido-2-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoic Acid | (S)-6-acetamido-2-((tert-butoxycarbonyl)amino)hexanoic acid | AKOS015892887 | N~2~-[tert-Butoxy(hydroxy)methylidene]-N~6~

Storage

Room temperature

Shipped In

Normal

Descripción general

General Description

The product number for this product was previously 04-12-0191. To obtain a certificate of analysis (CoA) of a lot that begins with the letter “A”, please select the option in the right hand menu “Request a COA for Lot#s starting with A”.

Specifications

Sinónimos

Boc-L-Lys(Ac)-OH | Boc-N-epsilon-acetyl-L-lysine | M03307 | (2S)-6-acetamido-2-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoic Acid | (S)-6-acetamido-2-((tert-butoxycarbonyl)amino)hexanoic acid | AKOS015892887 | N~2~-[tert-Butoxy(hydroxy)methylidene]-N~6~

Especificaciones y pureza

Reagent grade

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Grado

Reagent Grade

Nombres e identificadores

Sonrisas canónicas

CC(=O)NCCCCC(C(=O)O)NC(=O)OC(C)(C)C

IUPAC Name

(2S)-6-acetamido-2-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoic acid

InChIKey

IOKOUUAPSRCSNT-JTQLQIEISA-N

INCHI

1S/C13H24N2O5/c1-9(16)14-8-6-5-7-10(11(17)18)15-12(19)20-13(2,3)4/h10H,5-8H2,1-4H3,(H,14,16)(H,15,19)(H,17,18)/t10-/m0/s1

Isómeros SMILES

CC(=O)NCCCC[C@@H](C(=O)O)NC(=O)OC(C)(C)C

Peso molecular

288.34

Reaxy-Rn

13201993

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=13201993&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Clase: Carboxylic acids and derivatives
• Subclass: Amino acids, peptides, and analogues
• Intermediate Tree Nodes: Amino acids and derivatives
• Direct Parent: Alpha amino acids and derivatives
• Alternative Parents: Medium-chain fatty acids Branched fatty acids Amino fatty acids Carbamate esters Acetamides Secondary carboxylic acid amides Monocarboxylic acids and derivatives Carboxylic acids Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Alpha-amino acid or derivatives - Medium-chain fatty acid - Amino fatty acid - Branched fatty acid - Fatty acyl - Fatty acid - Carbamic acid ester - Acetamide - Carboxamide group - Secondary carboxylic acid amide - Monocarboxylic acid or derivatives - Carboxylic acid - Organooxygen compound - Organonitrogen compound - Carbonyl group - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Aliphatic acyclic compound
• Descripción: This compound belongs to the class of organic compounds known as alpha amino acids and derivatives. These are amino acids in which the amino group is attached to the carbon atom immediately adjacent to the carboxylate group (alpha carbon), or a derivative thereof.
• 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

Propiedades químicas y físicas

• Peso molecular: 288.340 g/mol
• XLogP3: 0.900
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 9
• Exact Mass: 288.169 Da
• Monoisotopic Mass: 288.169 Da
• Topological Polar Surface Area: 105.000 Ų
• Heavy Atom Count: 20
• Formal Charge: 0
• Complexity: 349.000
• 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