ChemSpider 2D Image | (7E,9E,11Z,13E,15R,17Z)-5,6,15-trihydroxyicosapentaenoic acid | C20H30O5

(7E,9E,11Z,13E,15R,17Z)-5,6,15-trihydroxyicosapentaenoic acid

  • Molecular FormulaC20H30O5
  • Average mass350.449 Da
  • Monoisotopic mass350.209320 Da
  • ChemSpider ID58827599

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 1 of 3 defined stereocentres

More details:

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

(7E,9E,11Z,13E,15R,17Z)-5,6,15-Trihydroxy-7,9,11,13,17-icosapentaenoic acid [ACD/IUPAC Name]
(7E,9E,11Z,13E,15R,17Z)-5,6,15-Trihydroxy-7,9,11,13,17-icosapentaensäure [German] [ACD/IUPAC Name]
(7E,9E,11Z,13E,15R,17Z)-5,6,15-trihydroxyicosapentaenoic acid
7,9,11,13,17-Eicosapentaenoic acid, 5,6,15-trihydroxy-, (7E,9E,11Z,13E,15R,17Z)- [ACD/Index Name]
Acide (7E,9E,11Z,13E,15R,17Z)-5,6,15-trihydroxy-7,9,11,13,17-icosapentaénoïque [French] [ACD/IUPAC Name]
(7E,9E,11Z,13E,15R,17Z)-5,6,15-trihydroxyeicosapentaenoic acid
(7E,9E,11Z,13E,15R,17Z)-5,6,15-trihydroxyicosa-7,9,11,13,17-pentaenoic acid
  • Miscellaneous

    • Chemical Class:

      A member of the class of lipoxins that is (7<stereo>E</stereo>,9<stereo>E</stereo>,11<stereo>Z</stereo>,13<stereo>E</stereo>,17<stereo>Z</stereo>)-icosapentaenoic acid carrying three hydroxy substitue nts at positions 5, 6, and 15<stereo>R</stereo>. ChEBI CHEBI:136357
      A member of the class of lipoxins that is (7E,9E,11Z,13E,17Z)-icosapentaenoic acid carrying three hydroxy substitue; nts at positions 5, 6, and 15R. ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:136357
      A member of the class of lipoxins that is (7E,9E,11Z,13E,17Z)-icosapentaenoic acid carrying three hydroxy substituents at positions 5, 6, and 15R. ChEBI CHEBI:136357

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

Density: 1.1±0.1 g/cm3
Boiling Point: 591.3±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.8 mmHg at 25°C
Enthalpy of Vaporization: 101.2±6.0 kJ/mol
Flash Point: 325.5±26.6 °C
Index of Refraction: 1.555
Molar Refractivity: 101.0±0.3 cm3
#H bond acceptors: 5
#H bond donors: 4
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 0
ACD/LogP: 1.82
ACD/LogD (pH 5.5): 1.01
ACD/BCF (pH 5.5): 2.10
ACD/KOC (pH 5.5): 32.82
ACD/LogD (pH 7.4): -0.79
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 98 Å2
Polarizability: 40.1±0.5 10-24cm3
Surface Tension: 47.7±3.0 dyne/cm
Molar Volume: 315.0±3.0 cm3

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