ChemSpider 2D Image | (13Z,16Z,19Z)-13,16,19-Docosatrienoate | C22H37O2

(13Z,16Z,19Z)-13,16,19-Docosatrienoate

  • Molecular FormulaC22H37O2
  • Average mass333.529 Da
  • Monoisotopic mass333.279907 Da
  • ChemSpider ID31150397

  • Charge - Charge

    Double-bond stereo - Double-bond stereo

More details:

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

(13Z,16Z,19Z)-13,16,19-Docosatrienoat [German] [ACD/IUPAC Name]
(13Z,16Z,19Z)-13,16,19-Docosatrienoate [ACD/IUPAC Name]
(13Z,16Z,19Z)-13,16,19-Docosatriénoate [French] [ACD/IUPAC Name]
13,16,19-Docosatrienoic acid, ion(1-), (13Z,16Z,19Z)- [ACD/Index Name]
(13Z,16Z,19Z)-docosa-13,16,19-trienoate
(13Z,16Z,19Z)-docosatrienoate
all-cis-13,16,19 docosatrienoate
  • Miscellaneous

    • Chemical Class:

      A long-chain polyunsaturated fatty acid anion that is the conjugate base of (13Z,16Z,19Z)-docosatrienoic acid, obtained by deprotonation of the carbo; xy group; major species at pH 7.3. ChEBI CHEBI:77808
      A long-chain polyunsaturated fatty acid anion that is the conjugate base of (13Z,16Z,19Z)-docosatrienoic acid, obtained by deprotonation of the carboxy group; major species at pH 7.3. ChEBI CHEBI:77808

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

Density:
Boiling Point: 459.1±14.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 78.9±6.0 kJ/mol
Flash Point: 355.8±15.2 °C
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 2
#H bond donors: 1
#Freely Rotating Bonds: 17
#Rule of 5 Violations: 1
ACD/LogP: 8.63
ACD/LogD (pH 5.5): 6.48
ACD/BCF (pH 5.5): 32034.55
ACD/KOC (pH 5.5): 34707.24
ACD/LogD (pH 7.4): 4.69
ACD/BCF (pH 7.4): 513.91
ACD/KOC (pH 7.4): 556.78
Polar Surface Area: 40 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site


Advertisement