ChemSpider 2D Image | (7Z,10Z,13Z,15E,19Z)-17-Oxo-7,10,13,15,19-docosapentaenoate | C22H31O3

(7Z,10Z,13Z,15E,19Z)-17-Oxo-7,10,13,15,19-docosapentaenoate

  • Molecular FormulaC22H31O3
  • Average mass343.480 Da
  • Monoisotopic mass343.227875 Da
  • ChemSpider ID76962459

  • Charge - Charge

    Double-bond stereo - Double-bond stereo

More details:

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

(7Z,10Z,13Z,15E,19Z)-17-Oxo-7,10,13,15,19-docosapentaenoat [German] [ACD/IUPAC Name]
(7Z,10Z,13Z,15E,19Z)-17-Oxo-7,10,13,15,19-docosapentaenoate [ACD/IUPAC Name]
(7Z,10Z,13Z,15E,19Z)-17-Oxo-7,10,13,15,19-docosapentaénoate [French] [ACD/IUPAC Name]
7,10,13,15,19-Docosapentaenoic acid, 17-oxo-, ion(1-), (7Z,10Z,13Z,15E,19Z)- [ACD/Index Name]
(7Z,10Z,13Z,15E,19Z)-17-oxodocosa-7,10,13,15,19-pentaenoate
17-oxo-(7Z,10Z,13Z,15E,19Z)-docosapentaenoate
17-oxo-DPA(n-3)(1-)
17-oxo-ω3-docosapentaenoate
  • Miscellaneous

    • Chemical Class:

      A docosanoid anion that is the conjugate base of (7Z,10Z,13Z,15E,19Z)-17-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:140333
      A docosanoid anion that is the conjugate base of (7Z,10Z,13Z,15E,19Z)-17-oxodocosapentaenoic acid, obtained by deprotonation of the carboxy group; major species at pH 7.3. ChEBI CHEBI:140333

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

Density:
Boiling Point: 494.7±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.7 mmHg at 25°C
Enthalpy of Vaporization: 83.4±6.0 kJ/mol
Flash Point: 267.1±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: 5.53
ACD/LogD (pH 5.5): 4.62
ACD/BCF (pH 5.5): 1213.30
ACD/KOC (pH 5.5): 3306.02
ACD/LogD (pH 7.4): 2.82
ACD/BCF (pH 7.4): 19.41
ACD/KOC (pH 7.4): 52.88
Polar Surface Area: 57 Å2
Polarizability:
Surface Tension:
Molar Volume:

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