Hexacosanoic acid - technical grade, ≥90%(GC) , CAS No.506-46-7

CAS: 506-46-7 Cat. No.: H432777 Formule: C₂₆H₅₂O Poids moléculaire: 396.69 Numéro CE: 208-040-2

GRADE & PURITY Technical grade, ≥90%(GC)

Synonyms

hexacosanoate (n-C26:0) | Cerotic acid | EINECS 208-040-2 | Hexacosanic acid | HY-113301 | HEXACOSANOIC ACID | cerinate | C26:0 | Hexacosanoic--d4 Acid | Ceratinic acid | D42CQN6P36 | n-Hexacosanoic acid | 7PO | A828220 | F16302 | hexaeicosanoic acid | DT

Storage

Room temperature

Specifications

Synonymes

hexacosanoate (n-C26:0) | Cerotic acid | EINECS 208-040-2 | Hexacosanic acid | HY-113301 | HEXACOSANOIC ACID | cerinate | C26:0 | Hexacosanoic--d4 Acid | Ceratinic acid | D42CQN6P36 | n-Hexacosanoic acid | 7PO | A828220 | F16302 | hexaeicosanoic acid | DT

Spécifications et pureté

technical grade, ≥90%(GC)

Conditions de stockage de stockage

Room temperature

Grade

Technical grade

Pureté

≥90%(GC)

Noms et identifiants

Sourires canoniques

CCCCCCCCCCCCCCCCCCCCCCCCCC(=O)O

IUPAC Name

hexacosanoic acid

InChIKey

XMHIUKTWLZUKEX-UHFFFAOYSA-N

INCHI

1S/C26H52O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26(27)28/h2-25H2,1H3,(H,27,28)

Isomères SMILES

CCCCCCCCCCCCCCCCCCCCCCCCCC(=O)O

Poids moléculaire

396.69

Reaxy-Rn

1799681

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1799681&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: Straight chain fatty acids Monocarboxylic acids and derivatives Carboxylic acids Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Very long-chain fatty acid - Straight chain fatty acid - Monocarboxylic 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: Straight chain fatty 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

Cibles associées (non humaines)

P388 (20296 Activities)

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Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mécanismes d'action

Propriétés chimiques et physiques

• Indice de réfraction: 1.4301
• Point d'ébullition (°C): 250°C
• Point de fusion (°C): 87-89°C
• Poids moléculaire: 396.700 g/mol
• XLogP3: 11.800
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 24
• Exact Mass: 396.397 Da
• Monoisotopic Mass: 396.397 Da
• Topological Polar Surface Area: 37.300 Ų
• Heavy Atom Count: 28
• Formal Charge: 0
• Complexity: 301.000
• 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