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

CAS: 22513-81-1 Cat. No.: D588244 Formule: C₂₂H₄₆O₂ Poids moléculaire: 342.6

QUALITÉ & PURETÉ ≥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

Spécifications

Synonymes

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

Spécifications et pureté

≥98%

Conditions de stockage de stockage

Room temperature,Desiccated

Expédié en

Normal

Pureté

≥98%

Noms et identifiants

Pubchem Sid

504758544

Pubchem Sid Url

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

Sourires canoniques

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

Isomères SMILES

C(CCCCCCCCCCCO)CCCCCCCCCCO

Numéro NSC

NSC Number': ['405997

Poids moléculaire

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
    • 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
• Description: 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

Cibles associées (non humaines)

Aspergillus fumigatus (16427 Activities)

Explore this target

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

Mécanismes d'action

Propriétés chimiques et physiques

• Poids moléculaire: 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

Foire aux questions

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.