3-Hydroxytetradecanoic Acid - ≥98%(GC) , CAS No.1961-72-4

CAS: 1961-72-4 Cat. No.: H131827 Peso molecular: 244.38

GRADE & PURITY ≥98%(GC)

Synonyms

(RS)-3-Hydroxytetradecanoic acid | starbld0000280 | LMFA01050175 | 3-HYDROXYTETRADECANOIC ACID | 3-HYDROXY-TETRADECANOIC ACID | Z6X | (+/-)-3-Hydroxytetradecanoic acid | Tetradecanoic acid, 3-hydroxy- (6CI,7CI,8CI,9CI) | beta-Hydroxymyristic acid | beta-h

Storage

Room temperature

Shipped In

Normal

Specifications

Sinónimos

(RS)-3-Hydroxytetradecanoic acid | starbld0000280 | LMFA01050175 | 3-HYDROXYTETRADECANOIC ACID | 3-HYDROXY-TETRADECANOIC ACID | Z6X | (+/-)-3-Hydroxytetradecanoic acid | Tetradecanoic acid, 3-hydroxy- (6CI, 7CI, 8CI, 9CI) | beta-Hydroxymyristic acid | beta-h

Especificaciones y pureza

≥98%(GC)

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Pureza

≥98%(GC)

Nombres e identificadores

• Pubchem Sid: 488182202
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488182202
• Sonrisas canónicas: CCCCCCCCCCCC(CC(=O)O)O
• IUPAC Name: 3-hydroxytetradecanoic acid
• InChIKey: ATRNZOYKSNPPBF-UHFFFAOYSA-N
• INCHI: 1S/C14H28O3/c1-2-3-4-5-6-7-8-9-10-11-13(15)12-14(16)17/h13,15H,2-12H2,1H3,(H,16,17)
• Isómeros SMILES: CCCCCCCCCCCC(CC(=O)O)O
• RTECS: XB8585000
• Peso molecular: 244.38
• Reaxy-Rn: 1725372
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1725372&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• Clase: 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
• Descripción: 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

Mecanismos de acción

Propiedades químicas y físicas

• Punto de fusión (°C): 80 °C
• Peso molecular: 244.370 g/mol
• XLogP3: 4.700
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 12
• Exact Mass: 244.204 Da
• Monoisotopic Mass: 244.204 Da
• Topological Polar Surface Area: 57.500 Ų
• Heavy Atom Count: 17
• Formal Charge: 0
• Complexity: 180.000
• 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