Docosane-1,22-diol - ≥98% , CAS No.22513-81-1

CAS: 22513-81-1 Cat. No.: D588244 分子式: C₂₂H₄₆O₂ 分子量: 342.6

グレード＆純度 ≥98%

Synonyms

1,22-Docosanediol | docosane-1,22-diol | AMY038 | MFCD30470109 | A937491 | DTXSID00324197 | NSC405997 | NSC-405997 | 1,22-hexadecanediol | E83882 | SCHEMBL472790 | SY296065 | BS-47588

Storage

Room temperature,Desiccated

Shipped In

Normal

仕様

同義語

1,22-Docosanediol | docosane-1,22-diol | AMY038 | MFCD30470109 | A937491 | DTXSID00324197 | NSC405997 | NSC-405997 | 1,22-hexadecanediol | E83882 | SCHEMBL472790 | SY296065 | BS-47588

仕様と純度

≥98%

保管条件

Room temperature,Desiccated

入荷

Normal

純度

≥98%

名前と識別子

パブケム・シド

504758544

パブケム・シド・ウル

https://pubchem.ncbi.nlm.nih.gov/substance/504758544

カノニカル・スマイル

C(CCCCCCCCCCCO)CCCCCCCCCCO

IUPAC Name

docosane-1,22-diol

InChIKey

HIBKFQRBONXURO-UHFFFAOYSA-N

INCHI

1S/C22H46O2/c23-21-19-17-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16-18-20-22-24/h23-24H,1-22H2

異性体SMILES

C(CCCCCCCCCCCO)CCCCCCCCCCO

NSC番号

NSC Number': ['405997

分子量

342.6

Reaxy-Rn

1777004

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1777004&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• 分類: 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
• 説明: 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: Not available

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

関連ターゲット（非人間）

Aspergillus fumigatus (16427 Activities)

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

Cryptococcus neoformans (21258 Activities)

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

作用メカニズム

化学的性質と物理的性質

• 分子量: 342.600 g/mol
• XLogP3: 9.000
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 21
• Exact Mass: 342.35 Da
• Monoisotopic Mass: 342.35 Da
• Topological Polar Surface Area: 40.500 Ų
• Heavy Atom Count: 24
• Formal Charge: 0
• Complexity: 184.000
• 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

よくある質問

What is the purity of this product?

This product is supplied at ≥98% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at room temperature, desiccated. Keep the container tightly closed with desiccant — the material is moisture-sensitive.

How is this product shipped?

This product ships under standard ambient conditions. No temperature-controlled packaging is required.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 22513-81-1, the molecular formula is C22H46O2, and the molecular weight is 342.6 g/mol. InChIKey HIBKFQRBONXURO-UHFFFAOYSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.