4'-Carboxybenzo-18-crown 6-Ether - ≥97%(HPLC)(T) , CAS No.60835-75-8

CAS: 60835-75-8 Cat. No.: C153846 Molecular Weight: 356.37 EC Number: 679-951-4

GRADE & PURITY ≥97%(HPLC)(T)

Synonyms

AJU | FT-0757777 | HMS2868O06 | STL089794 | SR-01000390274 | 2,3-(4-Carboxybenzo)-1,4,7,10,13,16-hexaoxacyclooctadec-2-ene | GFQYJVLOPVAPGJ-UHFFFAOYSA-N | SMR000554467 | MLS001195137 | 1,4,7,10,13,16-Benzohexaoxacyclooctadecin-18-carboxylicacid, 2,3,5,6,8

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Overview

application：

4'-Carboxybenzo-18-crown-6 is used as modified crown ether electrodes for the simultaneous stripping voltammetric determination of Cd(II), Pb(II) and Cu(II) ions in environmental samples.

Specifications

Synonyms

AJU | FT-0757777 | HMS2868O06 | STL089794 | SR-01000390274 | 2, 3-(4-Carboxybenzo)-1, 4, 7, 10, 13, 16-hexaoxacyclooctadec-2-ene | GFQYJVLOPVAPGJ-UHFFFAOYSA-N | SMR000554467 | MLS001195137 | 1, 4, 7, 10, 13, 16-Benzohexaoxacyclooctadecin-18-carboxylicacid, 2, 3, 5, 6, 8

Specifications & Purity

≥97%(HPLC)(T)

Storage

Store at 2-8°C, Argon charged

Shipped In

Wet ice

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

Purity

≥97%(HPLC)(T)

Names and Identifiers

• Pubchem Sid: 504760927
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504760927
• Canonical Smiles: C1COCCOCCOC2=C(C=CC(=C2)C(=O)O)OCCOCCO1
• IUPAC Name: 2,5,8,11,14,17-hexaoxabicyclo[16.4.0]docosa-1(18),19,21-triene-20-carboxylic acid
• InChIKey: GFQYJVLOPVAPGJ-UHFFFAOYSA-N
• INCHI: 1S/C17H24O8/c18-17(19)14-1-2-15-16(13-14)25-12-10-23-8-6-21-4-3-20-5-7-22-9-11-24-15/h1-2,13H,3-12H2,(H,18,19)
• Isomeric SMILES: C1COCCOCCOC2=C(C=CC(=C2)C(=O)O)OCCOCCO1
• Molecular Weight: 356.37
• Reaxy-Rn: 1602684
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1602684&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic oxygen compounds
    • Class Organooxygen compounds
      • Subclass Ethers

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• Class: Organooxygen compounds
• Subclass: Ethers
• Intermediate Tree Nodes: Not available
• Direct Parent: Alkyl aryl ethers
• Alternative Parents: Benzenoids Oxacyclic compounds Monocarboxylic acids and derivatives Dialkyl ethers Carboxylic acids Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Alkyl aryl ether - Benzenoid - Oxacycle - Organoheterocyclic compound - Monocarboxylic acid or derivatives - Dialkyl ether - Carboxylic acid - Carboxylic acid derivative - Organic oxide - Hydrocarbon derivative - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as alkyl aryl ethers. These are organic compounds containing the alkyl aryl ether functional group with the generic formula R-O-R' , where R is an alkyl group and R' is an aryl group.
• 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

Associated Targets(non-human)

Ttr Transthyretin (14 Activities)

Discover Target: Ttr

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mechanisms of Action

Chemical and Physical Properties

• Sensitivity: Hygroscopic
• Melt Point(°C): 125 °C
• Molecular Weight: 356.400 g/mol
• XLogP3: -0.300
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 1
• Exact Mass: 356.147 Da
• Monoisotopic Mass: 356.147 Da
• Topological Polar Surface Area: 92.700 Ų
• Heavy Atom Count: 25
• Formal Charge: 0
• Complexity: 365.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• 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