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

CAS: 506-46-7 Cat. No.: H432777 분자식: C₂₆H₅₂O 분자량: 396.69 EC 번호: 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

동의어

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

사양 및 순도

technical grade, ≥90%(GC)

보관 조건

Room temperature

등급

기술 등급

순수함

≥90%(GC)

이름과 식별자

• 정식 스마일: 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)
• 이성체 SMILES: CCCCCCCCCCCCCCCCCCCCCCCCCC(=O)O
• 분자량: 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
    • 분류 Fatty Acyls
      • Subclass Fatty acids and conjugates

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• 분류: 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
• 설명: 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

관련 대상(비인간)

P388 (20296 Activities)

Explore this target

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

작용 메커니즘

화학 및 물리적 특성

• 굴절률: 1.4301
• 끓는점(°C): 250°C
• 녹는점(°C): 87-89°C
• 분자량: 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