ChemSpider 2D Image | (4Z,7Z,10Z,13Z,16Z)-18-(3-Ethyl-2-oxiranyl)-4,7,10,13,16-octadecapentaenoate | C22H31O3

(4Z,7Z,10Z,13Z,16Z)-18-(3-Ethyl-2-oxiranyl)-4,7,10,13,16-octadecapentaenoate

  • Molecular FormulaC22H31O3
  • Average mass343.480 Da
  • Monoisotopic mass343.227875 Da
  • ChemSpider ID58827296
  • Charge - Charge

    Double-bond stereo - Double-bond stereo


More details:






Validated by Experts, Validated by Users, Non-Validated, Removed by Users

(4Z,7Z,10Z,13Z,16Z)-18-(3-Ethyl-2-oxiranyl)-4,7,10,13,16-octadecapentaenoat [German] [ACD/IUPAC Name]
(4Z,7Z,10Z,13Z,16Z)-18-(3-Ethyl-2-oxiranyl)-4,7,10,13,16-octadecapentaenoate [ACD/IUPAC Name]
(4Z,7Z,10Z,13Z,16Z)-18-(3-Éthyl-2-oxiranyl)-4,7,10,13,16-octadécapentaénoate [French] [ACD/IUPAC Name]
4,7,10,13,16-Octadecapentaenoic acid, 18-(3-ethyloxiranyl)-, ion(1-), (4Z,7Z,10Z,13Z,16Z)- [ACD/Index Name]
(4Z,7Z,10Z,13Z,16Z)-18-(3-ethyloxiran-2-yl)octadeca-4,7,10,13,16-pentaenoate
(4Z,7Z,10Z,13Z,16Z)-19,20-epoxydocosapentaenoate
19,20-epoxy-(4Z,7Z,10Z,13Z,16Z)-docosapentaenoate
  • Miscellaneous
    • Chemical Class:

      A docosanoid anion that is the conjugate base of (4Z,7Z,10Z,13Z,16Z)-19,20-epoxydocosapentaenoic acid, obtained by ; deprotonation of the carboxy group; major species at pH 7.3. ChEBI CHEBI:133931

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density:
Boiling Point: 466.2±33.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 79.8±6.0 kJ/mol
Flash Point: 152.3±18.9 °C
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 14
#Rule of 5 Violations: 1
ACD/LogP: 5.72
ACD/LogD (pH 5.5): 4.34
ACD/BCF (pH 5.5): 687.18
ACD/KOC (pH 5.5): 1982.93
ACD/LogD (pH 7.4): 2.54
ACD/BCF (pH 7.4): 10.80
ACD/KOC (pH 7.4): 31.16
Polar Surface Area: 53 Å2
Polarizability:
Surface Tension:
Molar Volume:

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