ChemSpider 2D Image | (7Z,9E,11E)-12-{3-[(2Z,5Z)-2,5-Octadien-1-yl]-2-oxiranyl}-7,9,11-dodecatrienoic acid | C22H32O3

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

  • Molecular FormulaC22H32O3
  • Average mass344.488 Da
  • Monoisotopic mass344.235138 Da
  • ChemSpider ID76962447

  • 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-dodecatrienoic acid [ACD/IUPAC Name]
(7Z,9E,11E)-12-{3-[(2Z,5Z)-2,5-Octadien-1-yl]-2-oxiranyl}-7,9,11-dodecatriensäure [German] [ACD/IUPAC Name]
7,9,11-Dodecatrienoic acid, 12-[3-[(2Z,5Z)-2,5-octadien-1-yl]oxiranyl]-, (7Z,9E,11E)- [ACD/Index Name]
Acide (7Z,9E,11E)-12-{3-[(2Z,5Z)-2,5-octadién-1-yl]-2-oxiranyl}-7,9,11-dodécatriénoïque [French] [ACD/IUPAC Name]
(7Z,9E,11E)-12-{3-[(2Z,5Z)-octa-2,5-dien-1-yl]oxiran-2-yl}dodeca-7,9,11-trienoic acid
13,14-epoxy-(7Z,9E,11E,16Z,19Z)-docosapentaenoic acid
13,14-epoxydocosapentaenoic acid
13,14-epoxy-DPAn-3
  • Miscellaneous

    • Chemical Class:

      An epoxydocosapentaenoic acid (7Z,9E,11E,16Z,19Z)-docosapentaenoic acid in which the epoxy group is located at the ; 13,14-position. An intermediate in the specialised proresolving mediators ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:140200
      An epoxydocosapentaenoic acid (7Z,9E,11E,16Z,19Z)-docosapentaenoic acid in which the epoxy group is located at the 13,14-position. An intermediate in the specialised proresolving mediators ChEBI CHEBI:140200

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

Density: 1.0±0.1 g/cm3
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: 1.554
Molar Refractivity: 107.2±0.3 cm3
#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: 50 Å2
Polarizability: 42.5±0.5 10-24cm3
Surface Tension: 41.5±3.0 dyne/cm
Molar Volume: 334.4±3.0 cm3

Click to predict properties on the Chemicalize site


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