(±)8-HETE - ≥98%, 100 ug/mL in ethanol , CAS No.79495-84-4

CAS: 79495-84-4 Cat. No.: H345925 Molecular Weight: 320.5

GRADE & PURITY ≥98%, 100 ug/mL in ethanol

Synonyms

5,9,11,14-Eicosatetraenoicacid, 8-hydroxy-, (5Z,9E,11Z,14Z)- | CS-0105817 | NLUNAYAEIJYXRB-HEJOTXCHSA-N | 8-hydroxy-5(Z),9(E),11(Z),14(Z)-eicosatetraenoic acid | 8-hydroxyeicosatetraenoic acid, (E,Z,Z,Z)-isomer | (+/-)8-Hydroxy-5Z,9E,11Z,14Z-eicosatetraen

Storage

Protected from light,Store at -20°C,Argon charged

Shipped In

Ice chest + Ice pads

Overview

(±)8-HETE is one of the six monohydroxy fatty acids produced by the non-enzymatic oxidation of arachidonic acid, where the biological activity is likely to resemble that of its constituent enantiomers.

Specifications

Synonyms

5, 9, 11, 14-Eicosatetraenoicacid, 8-hydroxy-, (5Z, 9E, 11Z, 14Z)- | CS-0105817 | NLUNAYAEIJYXRB-HEJOTXCHSA-N | 8-hydroxy-5(Z), 9(E), 11(Z), 14(Z)-eicosatetraenoic acid | 8-hydroxyeicosatetraenoic acid, (E, Z, Z, Z)-isomer | (+/-)8-Hydroxy-5Z, 9E, 11Z, 14Z-eicosatetraen

Specifications & Purity

≥98%, 100 ug/mL in ethanol

Storage

Protected from light, Store at -20°C, Argon charged

Shipped In

Ice chest + Ice pads

This product requires cold chain shipping. Ground and other economy services are not available.

Purity

≥98%

Names and Identifiers

• Canonical Smiles: CCCCCC=CCC=CC=CC(CC=CCCCC(=O)O)O
• IUPAC Name: (5Z,9E,11Z,14Z)-8-hydroxyicosa-5,9,11,14-tetraenoic acid
• InChIKey: NLUNAYAEIJYXRB-HEJOTXCHSA-N
• INCHI: 1S/C20H32O3/c1-2-3-4-5-6-7-8-9-10-13-16-19(21)17-14-11-12-15-18-20(22)23/h6-7,9-11,13-14,16,19,21H,2-5,8,12,15,17-18H2,1H3,(H,22,23)/b7-6-,10-9-,14-11-,16-13+
• Isomeric SMILES: CCCCC/C=C\C/C=C\C=C\C(C/C=C\CCCC(=O)O)O
• Alternate CAS: 70968-93-3
• Molecular Weight: 320.5
• Reaxy-Rn: 29201509
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=29201509&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Lipids and lipid-like molecules
    • Class Fatty Acyls
      • Subclass Eicosanoids

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• Class: Fatty Acyls
• Subclass: Eicosanoids
• Intermediate Tree Nodes: Not available
• Direct Parent: Hydroxyeicosatetraenoic acids
• Alternative Parents: Long-chain fatty acids Hydroxy fatty acids Unsaturated fatty acids Secondary alcohols Monocarboxylic acids and derivatives Carboxylic acids Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Hydroxyeicosatetraenoic acid - Long-chain fatty acid - Hydroxy fatty acid - Fatty acid - Unsaturated fatty acid - Secondary alcohol - Carboxylic acid derivative - Carboxylic acid - Monocarboxylic acid or derivatives - Organic oxide - Organic oxygen compound - Alcohol - Hydrocarbon derivative - Carbonyl group - Organooxygen compound - Aliphatic acyclic compound
• Description: This compound belongs to the class of organic compounds known as hydroxyeicosatetraenoic acids. These are eicosanoic acids with an attached hydroxyl group and four CC double bonds.
• External Descriptors: Hydroxy/hydroperoxyeicosatetraenoic 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

Chemical and Physical Properties

• Solubility: Soluble in water (0.8 mg/ml at 25.0° C), ethanol, DMSO, DMF, and PBS(pH7.2) (0.8 mg/ml).
• Sensitivity: Light sensitive，Air sensitive
• Refractive Index: n20D1.51 (Predicted)
• Boil Point(°C): 78° C
• Molecular Weight: 320.500 g/mol
• XLogP3: 5.200
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 14
• Exact Mass: 320.235 Da
• Monoisotopic Mass: 320.235 Da
• Topological Polar Surface Area: 57.500 Ų
• Heavy Atom Count: 23
• Formal Charge: 0
• Complexity: 392.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 1
• Defined Bond Stereocenter Count: 4
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 4
• Covalently-Bonded Unit Count: 1