ChemSpider 2D Image | (5S,6R,7E,9E,11Z)-5,6-Dihydroxy-15-oxo-7,9,11-icosatrienoate | C20H31O5

(5S,6R,7E,9E,11Z)-5,6-Dihydroxy-15-oxo-7,9,11-icosatrienoate

  • Molecular FormulaC20H31O5
  • Average mass351.458 Da
  • Monoisotopic mass351.217712 Da
  • ChemSpider ID31150536

  • Charge - Charge

    Double-bond stereo - Double-bond stereo

    defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(5S,6R,7E,9E,11Z)-5,6-Dihydroxy-15-oxo-7,9,11-icosatrienoat [German] [ACD/IUPAC Name]
(5S,6R,7E,9E,11Z)-5,6-Dihydroxy-15-oxo-7,9,11-icosatrienoate [ACD/IUPAC Name]
(5S,6R,7E,9E,11Z)-5,6-Dihydroxy-15-oxo-7,9,11-icosatriénoate [French] [ACD/IUPAC Name]
7,9,11-Eicosatrienoic acid, 5,6-dihydroxy-15-oxo-, ion(1-), (5S,6R,7E,9E,11Z)- [ACD/Index Name]
(5S,6R,7E,9E,11Z)-5,6-dihydroxy-15-oxoicosa-7,9,11-trienoate
13,14-dihydro-15-oxolipoxin A4(1-)
15-oxo-(5S,6R)-dihydroxy-(7E,9E,11Z)-eicosatrienoate
  • Miscellaneous

    • Chemical Class:

      A hydroxy fatty acid anion obtained by deprotonation of the carboxy function of 13,14-dihydro-15-oxolipoxin A4; major species at pH 7.3. ChEBI CHEBI:78325

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

Density:
Boiling Point: 572.3±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.6 mmHg at 25°C
Enthalpy of Vaporization: 98.5±6.0 kJ/mol
Flash Point: 314.0±26.6 °C
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 5
#H bond donors: 3
#Freely Rotating Bonds: 15
#Rule of 5 Violations: 0
ACD/LogP: 2.45
ACD/LogD (pH 5.5): 1.97
ACD/BCF (pH 5.5): 11.25
ACD/KOC (pH 5.5): 109.17
ACD/LogD (pH 7.4): 0.17
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.72
Polar Surface Area: 98 Å2
Polarizability:
Surface Tension:
Molar Volume:

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