3-Hydroxyheptadecanoic acid - ≥98% , CAS No.40165-89-7

CAS: 40165-89-7 Cat. No.: H275116 Fórmula: C₁₇H₃₄O₃ Peso molecular: 286.45

GRAU & PUREZA ≥98%

Synonyms

SCHEMBL311718 | 3-hydroxyheptadecanoic Acid | rac-3-Hydroxyheptadecanoic Acid | AKOS030254243 | DTXSID70960607 | PD071078 | MFCD02259049 | Heptadecanoic acid, 3-hydroxy- | 3-hydroxy Heptadecanoic Acid

Storage

Store at -20°C,Desiccated

Shipped In

Ice chest + Ice pads

Especificações

Sinónimos

SCHEMBL311718 | 3-hydroxyheptadecanoic Acid | rac-3-Hydroxyheptadecanoic Acid | AKOS030254243 | DTXSID70960607 | PD071078 | MFCD02259049 | Heptadecanoic acid, 3-hydroxy- | 3-hydroxy Heptadecanoic Acid

Especificações e pureza

≥98%

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

≥98%

Nomes e identificadores

Pubchem Sid

488186767

Sorrisos canónicos

CCCCCCCCCCCCCCC(CC(=O)O)O

IUPAC Name

3-hydroxyheptadecanoic acid

InChIKey

FWZUXWSQLNHYIC-UHFFFAOYSA-N

INCHI

1S/C17H34O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-16(18)15-17(19)20/h16,18H,2-15H2,1H3,(H,19,20)

SMILES isoméricas

CCCCCCCCCCCCCCC(CC(=O)O)O

Peso molecular

286.45

Reaxy-Rn

1788437

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1788437&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: Methyl-branched fatty acids 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 - Beta-hydroxy acid - Branched fatty acid - Methyl-branched fatty acid - Hydroxy fatty acid - Hydroxy acid - Secondary alcohol - Carboxylic acid - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Organooxygen compound - Alcohol - Hydrocarbon derivative - Carbonyl group - Organic oxide - Organic oxygen compound - 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

Propriedades químicas e físicas

• Solubilidade: Soluble in ethanol
• Peso molecular: 286.400 g/mol
• XLogP3: 6.300
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 15
• Exact Mass: 286.251 Da
• Monoisotopic Mass: 286.251 Da
• Topological Polar Surface Area: 57.500 Ų
• Heavy Atom Count: 20
• Formal Charge: 0
• Complexity: 216.000
• 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