Ctk4E1582 - ≥99% , CAS No.194656-75-2

CAS: 194656-75-2 Cat. No.: C1296141 Molecular Weight: 211.45 PubChem CID: 10104590

GRADE & PURITY ≥99%

Storage

Store at 2-8°C,Argon charged,Desiccated

Shipped In

Wet ice

Specifications

Specifications & Purity

≥99%

Storage

Store at 2-8°C, Argon charged, Desiccated

Shipped In

Wet ice

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

Action Type

INHIBITOR

Purity

≥99%

Names and Identifiers

• Canonical Smiles: B(CCCCC(C(=O)O)N)(O)O.Cl
• IUPAC Name: (2S)-2-amino-6-boronohexanoic acid;hydrochloride
• InChIKey: XCUVEZUCSHVMRK-JEDNCBNOSA-N
• INCHI: 1S/C6H14BNO4.ClH/c8-5(6(9)10)3-1-2-4-7(11)12;/h5,11-12H,1-4,8H2,(H,9,10);1H/t5-;/m0./s1
• Isomeric SMILES: B(CCCC[C@@H](C(=O)O)N)(O)O.Cl
• WGK Germany: 3
• PubChem CID: 10104590
• Molecular Weight: 211.45

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 Alpha amino acids
              • Level8 L-alpha-amino acids

• 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 - Alpha amino acids
• Direct Parent: L-alpha-amino acids
• Alternative Parents: Medium-chain fatty acids Boronic acids Amino acids Organic metalloid salts Monocarboxylic acids and derivatives Carboxylic acids Organic oxides Monoalkylboranes Monoalkylamines Hydrochlorides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: L-alpha-amino acid - Medium-chain fatty acid - Fatty acid - Fatty acyl - Boronic acid derivative - Boronic acid - Amino acid - Carboxylic acid - Monocarboxylic acid or derivatives - Organic metalloid salt - Amine - Hydrochloride - Hydrocarbon derivative - Organic oxide - Primary amine - Organooxygen compound - Organonitrogen compound - Organic metalloid moeity - Alkylborane - Primary aliphatic amine - Monoalkylborane - Carbonyl group - Organic oxygen compound - Organic nitrogen compound - Aliphatic acyclic compound
• Description: This compound belongs to the class of organic compounds known as l-alpha-amino acids. These are alpha amino acids which have the L-configuration of the alpha-carbon atom.
• 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

• Molecular Weight: 211.450 g/mol
• Hydrogen Bond Donor Count: 5
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 6
• Exact Mass: 211.078 Da
• Monoisotopic Mass: 211.078 Da
• Topological Polar Surface Area: 104.000 Ų
• Heavy Atom Count: 13
• Formal Charge: 0
• Complexity: 142.000
• 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: 2

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