docosanedioic acid - ≥98% , CAS No.505-56-6

CAS: 505-56-6 Cat. No.: D303828 Formule: C₂₂H₄₂O₄ Poids moléculaire: 370.567 Numéro CE: 624-095-9

GRADE & PURITY ≥98%

Synonyms

1,20-icosanedicarboxylic acid | DS-11641 | AKOS015892826 | MFCD00002806 | UNII-FR7J081T20 | FR7J081T20 | LMFA01170037 | NSC56159 | NSC-56159 | Docosanedioic acid, 85% | Docosanedioicacid | SCHEMBL151889 | Docosanedioic acid | Q5287252 | CHEBI:76319 | FT-0

Storage

Room temperature

Shipped In

Normal

Specifications

Synonymes

1,20-icosanedicarboxylic acid | DS-11641 | AKOS015892826 | MFCD00002806 | UNII-FR7J081T20 | FR7J081T20 | LMFA01170037 | NSC56159 | NSC-56159 | Docosanedioic acid, 85% | Docosanedioicacid | SCHEMBL151889 | Docosanedioic acid | Q5287252 | CHEBI:76319 | FT-0

Spécifications et pureté

≥98%

Conditions de stockage de stockage

Room temperature

Expédié en

Normal

Pureté

≥98%

Noms et identifiants

Pubchem Sid

488188970

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488188970

Sourires canoniques

C(CCCCCCCCCCC(=O)O)CCCCCCCCCC(=O)O

IUPAC Name

docosanedioic acid

InChIKey

DGXRZJSPDXZJFG-UHFFFAOYSA-N

INCHI

1S/C22H42O4/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/h1-20H2,(H,23,24)(H,25,26)

Isomères SMILES

C(CCCCCCCCCCC(=O)O)CCCCCCCCCC(=O)O

Poids moléculaire

370.567

Reaxy-Rn

1801600

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1801600&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• Classe: Fatty Acyls
• Subclass: Fatty acids and conjugates
• Intermediate Tree Nodes: Not available
• Direct Parent: Very long-chain fatty acids
• Alternative Parents: Dicarboxylic acids and derivatives Carboxylic acids Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Very long-chain 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: Dicarboxylic acids

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

Propriétés chimiques et physiques

• Point de fusion (°C): 119-125 °C
• Poids moléculaire: 370.600 g/mol
• XLogP3: 8.600
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 21
• Exact Mass: 370.308 Da
• Monoisotopic Mass: 370.308 Da
• Topological Polar Surface Area: 74.600 Ų
• Heavy Atom Count: 26
• Formal Charge: 0
• Complexity: 296.000
• 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