10,12-Docosadiynedioic acid - ≥95% , CAS No.28393-02-4

CAS: 28393-02-4 Cat. No.: D332512 Molecular Weight: 362.51

GRADE & PURITY ≥95%

Synonyms

10,12-docosadiyndioic acid | Icosa-9,11-diyne-1,20-dicarboxylic acid | MFCD00078306 | AKOS024306993 | 10,12-Docasadiyndioic acid | 10,12-Docosadiynedioic acid | 10,12-Docosadiynedioic acid # | docosa-10,12-diynedioic acid | SCHEMBL414271 | DTXSID20337704

Storage

Protected from light,Store at -20°C

Shipped In

Ice chest + Ice pads

Specifications

Synonyms

10, 12-docosadiyndioic acid | Icosa-9, 11-diyne-1, 20-dicarboxylic acid | MFCD00078306 | AKOS024306993 | 10, 12-Docasadiyndioic acid | 10, 12-Docosadiynedioic acid | 10, 12-Docosadiynedioic acid # | docosa-10, 12-diynedioic acid | SCHEMBL414271 | DTXSID20337704

Specifications & Purity

≥95%

Storage

Protected from light, Store at -20°C

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

• Pubchem Sid: 488190217
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488190217
• Canonical Smiles: C(CCCCC(=O)O)CCCC#CC#CCCCCCCCCC(=O)O
• IUPAC Name: docosa-10,12-diynedioic acid
• InChIKey: XCUAGNLOPZWTEH-UHFFFAOYSA-N
• INCHI: 1S/C22H34O4/c23-21(24)19-17-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16-18-20-22(25)26/h5-20H2,(H,23,24)(H,25,26)
• Isomeric SMILES: C(CCCCC(=O)O)CCCC#CC#CCCCCCCCCC(=O)O
• Molecular Weight: 362.51
• Reaxy-Rn: 1803395
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1803395&ln=

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: Unsaturated fatty acids Dicarboxylic acids and derivatives Carboxylic acids Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Very long-chain fatty acid - Unsaturated fatty acid - Dicarboxylic acid or derivatives - Carboxylic acid - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - 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

• Sensitivity: Light sensitive
• Molecular Weight: 362.500 g/mol
• XLogP3: 6.700
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 17
• Exact Mass: 362.246 Da
• Monoisotopic Mass: 362.246 Da
• Topological Polar Surface Area: 74.600 Ų
• Heavy Atom Count: 26
• Formal Charge: 0
• Complexity: 461.000
• 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