Pentacosanoic acid - analytical standard , CAS No.506-38-7

CAS: 506-38-7 Cat. No.: P114407 Summenformel: C₂₅H₅₀O₂ Molekulargewicht: 382.66 EG-Nummer: 208-036-0

GRADE & PURITY Analytical standard

Synonyms

Hyenate | n-Pentacosanoic acid | PENTACOSANOIC ACID | Q4348644 | 562AA15C-C8EA-4109-ABAF-D8CC68CCB7C8 | FA 25:0 | CHEBI:39420 | n-Pentacosanoate | AS-35339 | 4S768OX95G | NSC89289 | NSC-89289 | EINECS 208-036-0 | SCHEMBL2054087 | AKOS015839858 | HY-124422

Storage

Store at 2-8°C

Shipped In

Wet ice

Specifications

Synonyme

Hyenate | n-Pentacosanoic acid | PENTACOSANOIC ACID | Q4348644 | 562AA15C-C8EA-4109-ABAF-D8CC68CCB7C8 | FA 25:0 | CHEBI:39420 | n-Pentacosanoate | AS-35339 | 4S768OX95G | NSC89289 | NSC-89289 | EINECS 208-036-0 | SCHEMBL2054087 | AKOS015839858 | HY-124422

Spezifikationen & Reinheit

analytical standard

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

Namen und Kennungen

• Pubchem Sid: 528769591
• Kanonisches Lächeln: CCCCCCCCCCCCCCCCCCCCCCCCC(=O)O
• IUPAC Name: pentacosanoic acid
• InChIKey: MWMPEAHGUXCSMY-UHFFFAOYSA-N
• INCHI: 1S/C25H50O2/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/h2-24H2,1H3,(H,26,27)
• Isomere SMILES: CCCCCCCCCCCCCCCCCCCCCCCCC(=O)O
• Molekulargewicht: 382.66
• Reaxy-Rn: 1797903
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1797903&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

• Schmelzpunkt (°C): 83°C
• Molekulargewicht: 382.700 g/mol
• XLogP3: 11.200
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 23
• Exact Mass: 382.381 Da
• Monoisotopic Mass: 382.381 Da
• Topological Polar Surface Area: 37.300 Ų
• Heavy Atom Count: 27
• Formal Charge: 0
• Complexity: 288.000
• 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