(5Z,8Z,11Z,14Z,17Z)-N-(2-Hydroxyethyl)-5,8,11,14,17-eicosapentaenamide
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(5Z,8Z,11Z,14Z,17Z)-N-(2-Hydroxyethyl)-5,8,11,14,17-eicosapentaenamide
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CAS No:
109001-03-8
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Formula:
C22H35NO2
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Chemical Name:
(5Z,8Z,11Z,14Z,17Z)-N-(2-Hydroxyethyl)-5,8,11,14,17-eicosapentaenamide
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Synonyms:
5,8,11,14,17-Eicosapentaenamide,N-(2-hydroxyethyl)-,(5Z,8Z,11Z,14Z,17Z)-;5,8,11,14,17-Eicosapentaenamide,N-(2-hydroxyethyl)-,(all-Z)-;(5Z,8Z,11Z,14Z,17Z)-N-(2-Hydroxyethyl)-5,8,11,14,17-eicosapentaenamide
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CAS No:
Description
Solid
Solid
(5Z,8Z,11Z,14Z,17Z)-icosapentaenoylethanolamine is an N-(long-chain-acyl)ethanolamine that is the ethanolamide of (5Z,8Z,11Z,14Z17Z)-eicosapentaenoic acid. It has a role as a PPARgamma agonist. It is a N-(long-chain-acyl)ethanolamine, an endocannabinoid, a N-(polyunsaturated fatty acyl)ethanolamine and a N-acylethanolamine 20:5. It derives from an all-cis-5,8,11,14,17-icosapentaenoic acid.
(5Z,8Z,11Z,14Z,17Z)-N-(2-Hydroxyethyl)-5,8,11,14,17-eicosapentaenamide Basic Attributes
345.5188
345.52
Characteristics
49.3
4.7
colorless to yellow
0.951±0.06 g/cm3(Predicted)
522.5±50.0 °C(Predicted)
-20°C
186.44 Ų [M+H]+ [CCS Type: TIMS, Method: single field calibrated]
(5Z,8Z,11Z,14Z,17Z)-N-(2-Hydroxyethyl)-5,8,11,14,17-eicosapentaenamide Use and Manufacturing
Fatty Acyls [FA] -> Fatty amides [FA08] -> N-acyl ethanolamines (endocannabinoids) [FA0804]
Computed Properties
Molecular Weight:345.5
XLogP3:4.7
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:15
Exact Mass:345.266779359
Monoisotopic Mass:345.266779359
Topological Polar Surface Area:49.3
Heavy Atom Count:25
Complexity:445
Defined Bond Stereocenter Count:5
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
(5Z,8Z,11Z,14Z,17Z)-N-(2-Hydroxyethyl)-5,8,11,14,17-eicosapentaenamide
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