ChemSpider 2D Image | (7Z,10Z,13R,14E,16Z,19Z)-13-hydroxydocosapentaenoic acid | C22H34O3

(7Z,10Z,13R,14E,16Z,19Z)-13-hydroxydocosapentaenoic acid

  • Molecular FormulaC22H34O3
  • Average mass346.504 Da
  • Monoisotopic mass346.250793 Da
  • ChemSpider ID58164189

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(7Z,10Z,13R,14E,16Z,19Z)-13-Hydroxy-7,10,14,16,19-docosapentaenoic acid [ACD/IUPAC Name]
(7Z,10Z,13R,14E,16Z,19Z)-13-Hydroxy-7,10,14,16,19-docosapentaensäure [German] [ACD/IUPAC Name]
(7Z,10Z,13R,14E,16Z,19Z)-13-hydroxydocosapentaenoic acid
7,10,14,16,19-Docosapentaenoic acid, 13-hydroxy-, (7Z,10Z,13R,14E,16Z,19Z)- [ACD/Index Name]
Acide (7Z,10Z,13R,14E,16Z,19Z)-13-hydroxy-7,10,14,16,19-docosapentaénoïque [French] [ACD/IUPAC Name]
(13R)-hydroxy-(7Z,10Z,14E,16Z,19Z)-docosapentaenoic acid
(7Z,10Z,13R,14E,16Z,19Z)-13-hydroxydocosa-7,10,14,16,19-pentaenoic acid
  • Miscellaneous

    • Chemical Class:

      A polyunsaturated hydroxy fatty acid that consists of (7<stereo>Z</stereo>,10<stereo>Z</stereo>,14<stereo>E</stereo>,16<stereo>Z</stereo>,19<stereo>Z</stereo>)-docosapentaenoic acid bearing a single h ydroxy substituent at the 13<stereo>R</stereo>-position. ChEBI CHEBI:91274
      A polyunsaturated hydroxy fatty acid that consists of (7Z,10Z,14E,16Z,19Z)-docosapentaenoic acid bearing a single h; ydroxy substituent at the 13R-position. ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:91274
      A polyunsaturated hydroxy fatty acid that consists of (7Z,10Z,14E,16Z,19Z)-docosapentaenoic acid bearing a single hydroxy substituent at the 13R-position. ChEBI CHEBI:91274

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

Density: 1.0±0.1 g/cm3
Boiling Point: 504.1±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.9 mmHg at 25°C
Enthalpy of Vaporization: 89.1±6.0 kJ/mol
Flash Point: 272.8±26.6 °C
Index of Refraction: 1.521
Molar Refractivity: 107.3±0.3 cm3
#H bond acceptors: 3
#H bond donors: 2
#Freely Rotating Bonds: 15
#Rule of 5 Violations: 1
ACD/LogP: 5.96
ACD/LogD (pH 5.5): 4.71
ACD/BCF (pH 5.5): 1437.31
ACD/KOC (pH 5.5): 3732.38
ACD/LogD (pH 7.4): 2.92
ACD/BCF (pH 7.4): 22.99
ACD/KOC (pH 7.4): 59.70
Polar Surface Area: 58 Å2
Polarizability: 42.5±0.5 10-24cm3
Surface Tension: 38.8±3.0 dyne/cm
Molar Volume: 352.3±3.0 cm3

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