Sodium ionophore VI - ≥95% , CAS No.80403-59-4

CAS: 80403-59-4 Cat. No.: S355647 Molecular Weight: 662.86 EC Number: 635-508-7 PubChem CID: 4407094

GRADE & PURITY ≥95%

Synonyms

Sodium ionophore VI | Sodium ionophore VI, Selectophore(TM), function tested | AKOS015894399 | bis(1,4,7,10-tetraoxacyclododec-2-ylmethyl) 2-dodecyl-2-methylpropanedioate | Bis[(12-crown-4)methyl]dodecylmethylmalonate | 2-dodecyl-2-methyl-propanedioic aci

Storage

Store at -20°C,Argon charged

Shipped In

Ice chest + Ice pads

Overview

Sodium ionophore for assaying Na|+-|-activities with grafted wire sodium-selective electrodes. It can be used either in a liquid membrane or in a PVC solid membrane.

Specifications

Synonyms

Sodium ionophore VI | Sodium ionophore VI, Selectophore(TM), function tested | AKOS015894399 | bis(1, 4, 7, 10-tetraoxacyclododec-2-ylmethyl) 2-dodecyl-2-methylpropanedioate | Bis[(12-crown-4)methyl]dodecylmethylmalonate | 2-dodecyl-2-methyl-propanedioic aci

Specifications & Purity

≥95%

Storage

Store at -20°C, Argon charged

Shipped In

Ice chest + Ice pads

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

Purity

≥95%

Names and Identifiers

• Canonical Smiles: CCCCCCCCCCCCC(C)(C(=O)OCC1COCCOCCOCCO1)C(=O)OCC2COCCOCCOCCO2
• IUPAC Name: bis(1,4,7,10-tetraoxacyclododec-2-ylmethyl) 2-dodecyl-2-methylpropanedioate
• InChIKey: FJSZDECKJYYBGE-UHFFFAOYSA-N
• INCHI: 1S/C34H62O12/c1-3-4-5-6-7-8-9-10-11-12-13-34(2,32(35)45-28-30-26-41-20-18-37-14-16-39-22-24-43-30)33(36)46-29-31-27-42-21-19-38-15-17-40-23-25-44-31/h30-31H,3-29H2,1-2H3
• Isomeric SMILES: CCCCCCCCCCCCC(C)(C(=O)OCC1COCCOCCOCCO1)C(=O)OCC2COCCOCCOCCO2
• PubChem CID: 4407094
• Molecular Weight: 662.86

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Lipids and lipid-like molecules
    • Class Fatty Acyls
      • Subclass Fatty acid esters

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• Class: Fatty Acyls
• Subclass: Fatty acid esters
• Intermediate Tree Nodes: Not available
• Direct Parent: Fatty acid esters
• Alternative Parents: Dicarboxylic acids and derivatives Carboxylic acid esters Oxacyclic compounds Dialkyl ethers Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic heteromonocyclic compounds
• Substituents: Fatty acid ester - Dicarboxylic acid or derivatives - Carboxylic acid ester - Oxacycle - Organoheterocyclic compound - Ether - Dialkyl ether - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - Aliphatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as fatty acid esters. These are carboxylic ester derivatives of a fatty acid.
• 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

• Sensitivity: Moisture sensitive.
• Flash Point(°C): 113°C -闭环
• Molecular Weight: 662.800 g/mol
• XLogP3: 5.300
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 12
• Rotatable Bond Count: 19
• Exact Mass: 662.424 Da
• Monoisotopic Mass: 662.424 Da
• Topological Polar Surface Area: 126.000 Ų
• Heavy Atom Count: 46
• Formal Charge: 0
• Complexity: 706.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 2
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1