Aleuritic Acid - ≥95% , CAS No.533-87-9

CAS: 533-87-9 Cat. No.: A112615 Fórmula: C₁₆H₃₂O₅ Peso molecular: 304.42 Beilstein Registry Number: 1727724 Número CE: 208-578-8

GRADE & PURITY ≥95%

Synonyms

NSC 7668 | Hexadecanoic acid, 9,10,16-trihydroxy-, (theta,S)-(+/-)- | 442LQ2K03A | Hexadecanoic acid, 9,10,16-trihydroxy-, (9R,10S)-rel- | AKOS030504160 | BRN 1727724 | A812117 | ALEURITICACID | NSC-7668 | (?)-erythro-Aleuritic acid | 2704612-84-8 | Aleur

Storage

Store at 2-8°C,Desiccated

Shipped In

Wet ice

Specifications

Sinónimos

NSC 7668 | Hexadecanoic acid, 9,10,16-trihydroxy-, (theta,S)-(+/-)- | 442LQ2K03A | Hexadecanoic acid, 9,10,16-trihydroxy-, (9R,10S)-rel- | AKOS030504160 | BRN 1727724 | A812117 | ALEURITICACID | NSC-7668 | (?)-erythro-Aleuritic acid | 2704612-84-8 | Aleur

Especificações e pureza

≥95%

Condições de armazenamento de armazenamento

Store at 2-8°C,Desiccated

Enviado em

Wet ice

Este produto requer transporte de cadeia fria. Serviços terrestres e outros serviços econômicos não estão disponíveis.

Pureza

≥95%

Nomes e identificadores

• Pubchem Sid: 504757908
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504757908
• Sorrisos canónicos: C(CCCC(C(CCCCCCO)O)O)CCCC(=O)O
• IUPAC Name: (9R,10S)-9,10,16-trihydroxyhexadecanoic acid
• InChIKey: MEHUJCGAYMDLEL-CABCVRRESA-N
• INCHI: 1S/C16H32O5/c17-13-9-5-4-7-11-15(19)14(18)10-6-2-1-3-8-12-16(20)21/h14-15,17-19H,1-13H2,(H,20,21)/t14-,15+/m1/s1
• SMILES isoméricas: C(CCC[C@H]([C@H](CCCCCCO)O)O)CCCC(=O)O
• WGK Alemanha: 3
• RTECS: ML9850000
• Peso molecular: 304.42
• Beilstein: 1727724
• Reaxy-Rn: 1793005
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1793005&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• Classe: Fatty Acyls
• Subclass: Fatty acids and conjugates
• Intermediate Tree Nodes: Not available
• Direct Parent: Long-chain fatty acids
• Alternative Parents: Hydroxy fatty acids Secondary alcohols Polyols Monocarboxylic acids and derivatives Carboxylic acids Primary alcohols Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Long-chain fatty acid - Hydroxy fatty acid - Secondary alcohol - Polyol - Monocarboxylic acid or derivatives - Carboxylic acid - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Primary alcohol - Organooxygen compound - Carbonyl group - Alcohol - Aliphatic acyclic compound
• Descrição: This compound belongs to the class of organic compounds known as long-chain fatty acids. These are fatty acids with an aliphatic tail that contains between 13 and 21 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

Alvos associados (não humanos)

Pseudomonas aeruginosa (123386 Activities)

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Klebsiella pneumoniae (43867 Activities)

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Staphylococcus aureus (210822 Activities)

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Acinetobacter baumannii (41033 Activities)

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Escherichia coli (133304 Activities)

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Cryptococcus neoformans (21258 Activities)

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Candida albicans (78123 Activities)

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SARS-CoV-2 (38078 Activities)

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Mecanismos de ação

Propriedades químicas e físicas

• Solubilidade: Soluble in water, alcohol, acetic acid and acetone.
• Sensibilidade: heat sensitive
• Ponto de fusão (°C): 100-101°C
• Peso molecular: 304.420 g/mol
• XLogP3: 2.500
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 15
• Exact Mass: 304.225 Da
• Monoisotopic Mass: 304.225 Da
• Topological Polar Surface Area: 98.000 Ų
• Heavy Atom Count: 21
• Formal Charge: 0
• Complexity: 245.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 2
• 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

Perguntas frequentes

What is the purity of this product?

This product is supplied at ≥95% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at 2–8 °C, desiccated. Keep the container tightly closed with desiccant — the material is moisture-sensitive.

How is this product shipped?

This product ships chilled on wet ice. Unpack on arrival and transfer it to the storage condition stated above.

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

The CAS Number is 533-87-9, the molecular formula is C16H32O5, and the molecular weight is 304.42 g/mol. InChIKey MEHUJCGAYMDLEL-CABCVRRESA-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.