1-Octacosanol - ≥98% , CAS No.557-61-9

CAS: 557-61-9 Cat. No.: O121690 분자식: C₂₈H₅₈O 분자량: 410.76 EC 번호: 209-181-2

등급 & 순도 ≥98%

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

Store at 2-8°C,Protected from light

Shipped In

Wet ice

사양

동의어

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

사양 및 순도

≥98%

보관 조건

Store at 2-8°C,Protected from light

배송

Wet ice

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순수함

≥98%

이름과 식별자

Pubchem Sid

508812082

정식 스마일

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

이성체 SMILES

CCCCCCCCCCCCCCCCCCCCCCCCCCCCO

WGK 독일

3

분자량

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
    • 분류 Fatty Acyls
      • Subclass Fatty alcohols

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

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작용 메커니즘

화학 및 물리적 특성

• 감도: light sensitive
• 녹는점(°C): 83°C
• 분자량: 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