1-Octacosanol - ≥90%(GC) , CAS No.557-61-9

CAS: 557-61-9 Cat. No.: O106208 Fórmula: C₂₈H₅₈O Peso molecular: 410.76 Número CE: 209-181-2

GRADE & PURITY ≥90%(GC)

Synonyms

F17671 | O0199 | s5161 | 81I2215OVK | DTXSID1025803 | NCGC00274075-01 | OCTACOSANOL,95% | OCTACOSANOL [WHO-DD] | EINECS 209-181-2 | Octacosan-1-ol | Q3631024 | C08387 | O8N | Cluytyl alcohol | SCHEMBL16043 | A830795 | HY-N6811 | AS-14389 | OCTACOSANOL (CO

Storage

Armazenar a 2-8°C

Shipped In

Gelo húmido

Specifications

Sinónimos

F17671 | O0199 | s5161 | 81I2215OVK | DTXSID1025803 | NCGC00274075-01 | OCTACOSANOL,95% | OCTACOSANOL [WHO-DD] | EINECS 209-181-2 | Octacosan-1-ol | Q3631024 | C08387 | O8N | Cluytyl alcohol | SCHEMBL16043 | A830795 | HY-N6811 | AS-14389 | OCTACOSANOL (CO

Especificações e pureza

≥90%(GC)

Condições de armazenamento de armazenamento

Armazenar a 2-8°C

Enviado em

Gelo húmido

Pureza

≥90%(GC)

Nomes e identificadores

Pubchem Sid

488184134

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488184134

Sorrisos canónicos

CCCCCCCCCCCCCCCCCCCCCCCCCCCCO

IUPAC Name

octacosan-1-ol

InChIKey

CNNRPFQICPFDPO-UHFFFAOYSA-N

INCHI

1S/C28H58O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29/h29H,2-28H2,1H3

SMILES isoméricas

CCCCCCCCCCCCCCCCCCCCCCCCCCCCO

WGK Alemanha

3

Peso molecular

410.76

Reaxy-Rn

1786879

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1786879&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Lipids and lipid-like molecules
    • Classe Fatty Acyls
      • Subclass Fatty alcohols

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• Classe: Fatty Acyls
• Subclass: Fatty alcohols
• Intermediate Tree Nodes: Not available
• Direct Parent: Fatty alcohols
• Alternative Parents: Primary alcohols Hydrocarbon derivatives
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Fatty alcohol - Organic oxygen compound - Hydrocarbon derivative - Primary alcohol - Organooxygen compound - Alcohol - Aliphatic acyclic compound
• Descrição: This compound belongs to the class of organic compounds known as fatty alcohols. These are aliphatic alcohols consisting of a chain of a least six carbon atoms.
• External Descriptors: a long-chain alcohol - a primary alcohol - a fatty alcohol

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

Alvos associados (não humanos)

Hdac6 Histone deacetylase 6 (222 Activities)

Discover Target: Hdac6

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

Brugia malayi (1377 Activities)

Explore this target

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

Vero (26788 Activities)

Explore this target

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

rep Replicase polyprotein 1ab (378 Activities)

Discover Target: rep

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

Mecanismos de ação

Propriedades químicas e físicas

• Ponto de fusão (°C): 83°C
• Peso molecular: 410.800 g/mol
• XLogP3: 13.800
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 26
• Exact Mass: 410.449 Da
• Monoisotopic Mass: 410.449 Da
• Topological Polar Surface Area: 20.200 Ų
• Heavy Atom Count: 29
• Formal Charge: 0
• Complexity: 263.000
• 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