Silver Behenate - ≥95% , CAS No.2489-05-6

CAS: 2489-05-6 Cat. No.: S161399 Formula: C₂₂H₄₃AgO₂ Molecular Weight: 447.45 EC Number: 219-641-4 PubChem CID: 164971

GRADE & PURITY ≥95%

Synonyms

BEHENICACIDSILVERSALT|Silver(I) behenate|Silver docosanoate|Docosanoic acid, silver(1+) salt|Docosanoic Acid Silver Salt|Docosanoic acid, silver salt|silver;docosanoate|Silver behenate|Silver(I) docosanoate|Docosanoic acid, silver(1+) salt (1:1)|silver(1+) docosanoate

Storage

Protected from light,Room temperature

Shipped In

Normal

Overview

Application：

Silver(I) behenate is used as a calibration standard in X-ray spectrophotometer to an absolute X-ray energy scale. It is utilized for low-angle diffraction standard in X-ray crystallography.

Specifications

Synonyms

BEHENICACIDSILVERSALT | Silver(I) behenate | Silver docosanoate | Docosanoic acid, silver(1+) salt | Docosanoic Acid Silver Salt | Docosanoic acid, silver salt | silver;docosanoate | Silver behenate | Silver(I) docosanoate | Docosanoic acid, silver(1+) salt (1:1) | silver(1+) docosanoate

Specifications & Purity

≥95%

Storage

Protected from light,Room temperature

Shipped In

Normal

Purity

≥95%

Names and Identifiers

Pubchem Sid

508813347

Canonical Smiles

CCCCCCCCCCCCCCCCCCCCCC(=O)[O-].[Ag+]

IUPAC Name

silver;docosanoate

InChIKey

AQRYNYUOKMNDDV-UHFFFAOYSA-M

INCHI

1S/C22H44O2.Ag/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22(23)24;/h2-21H2,1H3,(H,23,24);/q;+1/p-1

Isomeric SMILES

CCCCCCCCCCCCCCCCCCCCCC(=O)[O-].[Ag+]

PubChem CID

164971

Molecular Weight

447.45

Reaxy-Rn

7801813

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Lipids and lipid-like molecules
    • Class Fatty Acyls
      • Subclass Fatty acids and conjugates

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• Class: Fatty Acyls
• Subclass: Fatty acids and conjugates
• Intermediate Tree Nodes: Not available
• Direct Parent: Very long-chain fatty acids
• Alternative Parents: Carboxylic acid salts Monocarboxylic acids and derivatives Carboxylic acids Organic silver salts Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Very long-chain fatty acid - Carboxylic acid salt - Organic transition metal salt - Monocarboxylic acid or derivatives - Carboxylic acid - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organic silver salt - Organic salt - Organooxygen compound - Carbonyl group - Aliphatic acyclic compound
• Description: This compound belongs to the class of organic compounds known as very long-chain fatty acids. These are fatty acids with an aliphatic tail that contains at least 22 carbon atoms.
• 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

• Solubility: Slightly soluble in water.
• Sensitivity: Light Sensitive
• Molecular Weight: 447.400 g/mol
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 19
• Exact Mass: 446.231 Da
• Monoisotopic Mass: 446.231 Da
• Topological Polar Surface Area: 40.100 Ų
• Heavy Atom Count: 25
• Formal Charge: 0
• Complexity: 245.000
• 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: 2

XLogP3