ChemSpider 2D Image | (7E,9E,11Z,13E,15R,17Z)-5,6,15-Trihydroxy-7,9,11,13,17-icosapentaenoate | C20H29O5

(7E,9E,11Z,13E,15R,17Z)-5,6,15-Trihydroxy-7,9,11,13,17-icosapentaenoate

  • Molecular FormulaC20H29O5
  • Average mass349.442 Da
  • Monoisotopic mass349.202057 Da
  • ChemSpider ID58827278

  • Charge - Charge

    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-icosapentaenoat [German] [ACD/IUPAC Name]
(7E,9E,11Z,13E,15R,17Z)-5,6,15-Trihydroxy-7,9,11,13,17-icosapentaenoate [ACD/IUPAC Name]
(7E,9E,11Z,13E,15R,17Z)-5,6,15-Trihydroxy-7,9,11,13,17-icosapentaénoate [French] [ACD/IUPAC Name]
7,9,11,13,17-Eicosapentaenoic acid, 5,6,15-trihydroxy-, ion(1-), (7E,9E,11Z,13E,15R,17Z)- [ACD/Index Name]
(5,6,15R)-trihydroxy-(7E,9E,11Z,13E,17Z)-eicosapentaenoate
(7E,9E,11Z,13E,15R,17Z)-5,6,15-trihydroxyeicosapentaenoate
(7E,9E,11Z,13E,15R,17Z)-5,6,15-trihydroxyicosa-7,9,11,13,17-pentaenoate
(7E,9E,11Z,13E,15R,17Z)-5,6,15-trihydroxyicosapentaenoate
  • Miscellaneous

    • Chemical Class:

      An icosanoid anion that is the conjugate base of (7E,9E,11Z,13E,15R,17Z)-5,6,15-trihydroxyicosapen; taenoic acid, obtained by deprotonation of the carboxy group; major species at pH 7.3. ChEBI CHEBI:133821
      An icosanoid anion that is the conjugate base of (7E,9E,11Z,13E,15R,17Z)-5,6,15-trihydroxyicosapentaenoic acid, obtained by deprotonation of the carboxy group; major species at pH 7.3. ChEBI CHEBI:133821

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

Density:
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:
Molar Refractivity:
#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: 101 Å2
Polarizability:
Surface Tension:
Molar Volume:

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