ChemSpider 2D Image | (7Z,10Z,14E,16Z,19Z)-13-Oxo-7,10,14,16,19-docosapentaenoate | C22H31O3

(7Z,10Z,14E,16Z,19Z)-13-Oxo-7,10,14,16,19-docosapentaenoate

  • Molecular FormulaC22H31O3
  • Average mass343.480 Da
  • Monoisotopic mass343.227875 Da
  • ChemSpider ID76962451

  • Charge - Charge

    Double-bond stereo - Double-bond stereo

More details:

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

(7Z,10Z,14E,16Z,19Z)-13-Oxo-7,10,14,16,19-docosapentaenoat [German] [ACD/IUPAC Name]
(7Z,10Z,14E,16Z,19Z)-13-Oxo-7,10,14,16,19-docosapentaenoate [ACD/IUPAC Name]
(7Z,10Z,14E,16Z,19Z)-13-Oxo-7,10,14,16,19-docosapentaénoate [French] [ACD/IUPAC Name]
7,10,14,16,19-Docosapentaenoic acid, 13-oxo-, ion(1-), (7Z,10Z,14E,16Z,19Z)- [ACD/Index Name]
(7Z,10Z,14E,16Z,19Z)-13-ketodocosapentaenoate
(7Z,10Z,14E,16Z,19Z)-13-oxodocosa-7,10,14,16,19-pentaenoate
13-oxo-(7Z,10Z,14E,16Z,19Z)-docosapentaenoate
13-oxo-DPAn-3(1-)
13-oxo-ω-3-docosapentaenoate
  • Miscellaneous

    • Chemical Class:

      A docosanoid anion that is the conjugate base of (7Z,10Z,14E,16Z,19Z)-13-oxodocosapentaenoic acid, obtained by depr; otonation of the carboxy group; major species at pH 7.3. ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:140237
      A docosanoid anion that is the conjugate base of (7Z,10Z,14E,16Z,19Z)-13-oxodocosapentaenoic acid, obtained by deprotonation of the carboxy group; major species at pH 7.3. ChEBI CHEBI:140237

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density:
Boiling Point: 495.0±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.7 mmHg at 25°C
Enthalpy of Vaporization: 83.5±6.0 kJ/mol
Flash Point: 267.3±25.2 °C
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 15
#Rule of 5 Violations: 1
ACD/LogP: 5.76
ACD/LogD (pH 5.5): 4.69
ACD/BCF (pH 5.5): 1389.46
ACD/KOC (pH 5.5): 3642.26
ACD/LogD (pH 7.4): 2.90
ACD/BCF (pH 7.4): 22.22
ACD/KOC (pH 7.4): 58.26
Polar Surface Area: 57 Å2
Polarizability:
Surface Tension:
Molar Volume:

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