3-Hydroxyhexadecanoic acid - ≥95% , CAS No.928-17-6

CAS: 928-17-6 Cat. No.: H598643 Fórmula: C₁₆H₃₂O₃ Peso molecular: 272.43

GRADE & PURITY ≥95%

Synonyms

3-hydroxyhexadecanoic acid|2398-34-7|3-hydroxy-hexadecanoic acid|928-17-6|3-Hydroxypalmitic acid|beta-Hydroxyhexadecanoic acid|Hexadecanoic acid, 3-hydroxy-|3-HYDROXYHEXADECANOICACID|beta-Hydroxypalmitic acid|20595-04-4|Hexadecanoic acid, 3-hydroxy-, (A+/

Storage

Store at -20°C,Desiccated

Shipped In

Ice chest + Ice pads

Specifications

Sinónimos

3-hydroxyhexadecanoic acid | 2398-34-7 | 3-hydroxy-hexadecanoic acid | 928-17-6 | 3-Hydroxypalmitic acid | beta-Hydroxyhexadecanoic acid | Hexadecanoic acid, 3-hydroxy- | 3-HYDROXYHEXADECANOICACID | beta-Hydroxypalmitic acid | 20595-04-4 | Hexadecanoic acid, 3-hydroxy-, (A+/

Especificações e pureza

≥95%

Condições de armazenamento de armazenamento

Store at -20°C,Desiccated

Enviado em

Ice chest + Ice pads

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

Pureza

≥95%

Nomes e identificadores

• Pubchem Sid: 528759207
• Sorrisos canónicos: CCCCCCCCCCCCCC(CC(=O)O)O
• IUPAC Name: 3-hydroxyhexadecanoic acid
• InChIKey: CBWALJHXHCJYTE-UHFFFAOYSA-N
• INCHI: 1S/C16H32O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-15(17)14-16(18)19/h15,17H,2-14H2,1H3,(H,18,19)
• SMILES isoméricas: CCCCCCCCCCCCCC(CC(=O)O)O
• CAS alternativo: 2398-34-7
• Peso molecular: 272.43
• Reaxy-Rn: 1785129
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1785129&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 Beta hydroxy acids and derivatives Secondary alcohols Monocarboxylic acids and derivatives Carboxylic acids Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Long-chain fatty acid - Hydroxy fatty acid - Beta-hydroxy acid - Hydroxy acid - Secondary alcohol - Monocarboxylic acid or derivatives - Carboxylic acid - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - 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: Hydroxy fatty acids

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

Propriedades químicas e físicas

• Solubilidade: Soluble in ethanol
• Peso molecular: 272.420 g/mol
• XLogP3: 5.800
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 14
• Exact Mass: 272.235 Da
• Monoisotopic Mass: 272.235 Da
• Topological Polar Surface Area: 57.500 Ų
• Heavy Atom Count: 19
• Formal Charge: 0
• Complexity: 204.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 1
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1