8,9-dihydroxy-5Z,11Z,14Z-eicosatrienoic acid

Base Information

• Chemical Name: 8,9-dihydroxy-5Z,11Z,14Z-eicosatrienoic acid
• CAS No.: 192461-96-4
• Molecular Formula: C₂₀H₃₄O₄
• Molecular Weight: 338.488
• DSSTox Substance ID: DTXSID80390597
• Wikidata: Q27104912
• Metabolomics Workbench ID: 2614
• Mol file: 192461-96-4.mol

Synonyms:8,9-DHET;8,9-dihydroxyeicosatrienoic acid;8,9-dihydroxy-5Z,11Z,14Z-eicosatrienoic acid;(+/-)8,9-DiHETrE;(5Z,11Z,14Z)-8,9-Dihydroxyicosa-5,11,14-trienoic acid;192461-96-4;(+/-)8,9-DHET;8,9-DiHETrE;(5Z,11Z,14Z)-8,9-Dihydroxyeicosa-5,11,14-trienoic acid;5,11,14-Eicosatrienoic acid, 8,9-dihydroxy-, (5Z,11Z,14Z)-;(5Z,11Z,14Z)-8,9-Dihydroxyicosa-5,11,14-trienoate;8,9-dihydroxyeicosatrienoate;SCHEMBL2512152;CHEBI:63970;DTXSID80390597;DCJBINATHQHPKO-TYAUOURKSA-N;(??)8(9)-DiHET;8,9-DHET-[d11];LMFA03050006;AKOS040755691;8,9-dihydroxy-5Z,11Z,14Z-eicosatrienoate;8,9-dihydroxyeicosa-5,11,14-trienoic acid;8,9-dihydroxy-5Z,11Z,14Z-icosatrienoic acid;(5Z,11Z,14Z)-8,9-dihydroxyicosatrienoic acid;J-012445;Q27104912;8,9-dihydroxy-5(Z),11(Z),14(Z)-eicosatrienoic acid;(5Z,11Z,14Z)-8,9-Dihydroxyeicosa-5,11,14-trienoate

Chemical Property of 8,9-dihydroxy-5Z,11Z,14Z-eicosatrienoic acid

Chemical Property:

• Vapor Pressure: 9.1E-13mmHg at 25°C
• Refractive Index: 1.514
• Boiling Point: 515.2°Cat760mmHg
• PKA: 4.75±0.10(Predicted)
• Flash Point: 279.4°C
• PSA: 77.76000
• Density: 1.025g/cm³
• LogP: 4.38230
• XLogP3: 4.4
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 15
• Exact Mass: 338.24570956
• Heavy Atom Count: 24
• Complexity: 385

Purity/Quality:

97% ^*data from raw suppliers

(±)?-?8,?9-?DHET ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCC=CCC=CCC(C(CC=CCCCC(=O)O)O)O
• Isomeric SMILES: CCCCC/C=C\C/C=C\CC(C(C/C=C\CCCC(=O)O)O)O
• Uses: (±)?-?8,?9-?DHET (8,9-Dihydroxyeicosatrienoic Acid) is associated with abnormal lipoprotein oxylipins and metabolic disorders and may contribute to chronic inflammation.

Technology Process of 8,9-dihydroxy-5Z,11Z,14Z-eicosatrienoic acid

There total 1 articles about 8,9-dihydroxy-5Z,11Z,14Z-eicosatrienoic acid which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield:

8,9-epoxyeicosa-5(Z),11(Z),14(Z)-trienoic acid (184488-44-6,81246-85-7) → 8,9-DHET (192461-96-4,81943-03-5)

Guidance literature:

With soluble epoxide hydrolase; Enzymatic reaction;

DOI:10.1073/pnas.1922287117

upstream raw materials:

8,9-epoxyeicosa-5(Z),11(Z),14(Z)-trienoic acid