ChemSpider 2D Image | (7Z,9E,11E)-12-{3-[(2Z,5Z)-2,5-Octadien-1-yl]-2-oxiranyl}-7,9,11-dodecatrienoate | C22H31O3

(7Z,9E,11E)-12-{3-[(2Z,5Z)-2,5-Octadien-1-yl]-2-oxiranyl}-7,9,11-dodecatrienoate

  • Molecular FormulaC22H31O3
  • Average mass343.480 Da
  • Monoisotopic mass343.227875 Da
  • ChemSpider ID76962449

  • Charge - Charge

    Double-bond stereo - Double-bond stereo

More details:

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

(7Z,9E,11E)-12-{3-[(2Z,5Z)-2,5-Octadien-1-yl]-2-oxiranyl}-7,9,11-dodecatrienoat [German] [ACD/IUPAC Name]
(7Z,9E,11E)-12-{3-[(2Z,5Z)-2,5-Octadien-1-yl]-2-oxiranyl}-7,9,11-dodecatrienoate [ACD/IUPAC Name]
(7Z,9E,11E)-12-{3-[(2Z,5Z)-2,5-Octadién-1-yl]-2-oxiranyl}-7,9,11-dodécatriénoate [French] [ACD/IUPAC Name]
7,9,11-Dodecatrienoic acid, 12-[3-[(2Z,5Z)-2,5-octadien-1-yl]oxiranyl]-, ion(1-), (7Z,9E,11E)- [ACD/Index Name]
(7Z,9E,11E)-12-{3-[(2Z,5Z)-octa-2,5-dien-1-yl]oxiran-2-yl}dodeca-7,9,11-trienoate
13,14-epoxy-(7Z,9E,11E,16Z,19Z)-docosapentaenoate
  • Miscellaneous

    • Chemical Class:

      A docosanoid anion that is the conjugate base of (7Z,9E,11E,16Z,19Z)-13,14-epoxydocosapentaenoic acid, obtained by ; deprotonation of the carboxy group; major species at pH 7.3. ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:140235
      A docosanoid anion that is the conjugate base of (7Z,9E,11E,16Z,19Z)-13,14-epoxydocosapentaenoic acid, obtained by deprotonation of the carboxy group; major species at pH 7.3. ChEBI CHEBI:140235

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

Density:
Boiling Point: 507.5±38.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.8 mmHg at 25°C
Enthalpy of Vaporization: 85.1±6.0 kJ/mol
Flash Point: 169.7±20.3 °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: 5.60
ACD/LogD (pH 5.5): 4.47
ACD/BCF (pH 5.5): 931.64
ACD/KOC (pH 5.5): 2730.40
ACD/LogD (pH 7.4): 2.67
ACD/BCF (pH 7.4): 14.89
ACD/KOC (pH 7.4): 43.64
Polar Surface Area: 53 Å2
Polarizability:
Surface Tension:
Molar Volume:

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