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

CAS: 505-56-6 Cat. No.: D303828 Fórmula: C₂₂H₄₂O₄ Peso molecular: 370.567 Número 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

Sinónimos

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

Especificações e pureza

≥98%

Condições de armazenamento de armazenamento

Room temperature

Enviado em

Normal

Pureza

≥98%

Nomes e identificadores

Pubchem Sid

488188970

Pubchem Sid Url

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

Sorrisos canónicos

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)

SMILES isoméricas

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

Peso molecular

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
• Descrição: 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

Propriedades químicas e físicas

• Ponto de fusão (°C): 119-125 °C
• Peso molecular: 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