Hexacosanoic acid - analytical standard , CAS No.506-46-7

CAS: 506-46-7 Cat. No.: H114408 Summenformel: C₂₆H₅₂O Molekulargewicht: 396.69 EG-Nummer: 208-040-2

GRADE & PURITY Analytical standard

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

Store at 2-8°C

Shipped In

Wet ice

Specifications

Synonyme

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

Spezifikationen & Reinheit

analytical standard

Biochemische und physiologische Mechanismen

Very long chain fatty acid. β-oxidation substrate in peroxisomes. Shows proinflammatory effects. Biomarker for adrenoleukodystrophy. Blood-brain barrier permeable. Orally active.

Storage

Store at 2-8°C

Verschickt in

Wet ice

Dieses Produkt erfordert Kühlkettenversand. Grundversand und andere Economy-Optionen sind nicht verfügbar.

Note

Analytischer Standard

Hinweis

Wherever possible, you should prepare and use solutions on the same day. However, if you need to make up stock solutions in advance, we recommend that you store the solution as aliquots in tightly sealed vials at -20°C. Generally, these will be useable for up to one month. Before use, and prior to opening the vial we recommend that you allow your product to equilibrate to room temperature for at least 1 hour. Need more advice on solubility, usage and handling? Please visit our frequently asked questions (FAQ) page for more details.

Namen und Kennungen

Pubchem Sid

508816547

Kanonisches Lächeln

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)

Isomere SMILES

CCCCCCCCCCCCCCCCCCCCCCCCCC(=O)O

Molekulargewicht

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
    • Klasse Fatty Acyls
      • Subclass Fatty acids and conjugates

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• Klasse: 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
• Beschreibung: 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

Zugehörige Ziele (nicht menschlich)

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Wirkungsmechanismen

Chemische und physikalische Eigenschaften

• Brechungsindex: 1.4301
• Siedepunkt (°C): 250°C
• Schmelzpunkt (°C): 87-89°C
• Molekulargewicht: 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