ChemSpider 2D Image | (5S,6R,7E,9E,11Z,13E)-5,6-Dihydroxy-15-oxo-7,9,11,13-icosatetraenoate | C20H29O5

(5S,6R,7E,9E,11Z,13E)-5,6-Dihydroxy-15-oxo-7,9,11,13-icosatetraenoate

  • Molecular FormulaC20H29O5
  • Average mass349.442 Da
  • Monoisotopic mass349.202057 Da
  • ChemSpider ID31150530

  • 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,13E)-5,6-Dihydroxy-15-oxo-7,9,11,13-icosatetraenoat [German] [ACD/IUPAC Name]
(5S,6R,7E,9E,11Z,13E)-5,6-Dihydroxy-15-oxo-7,9,11,13-icosatetraenoate [ACD/IUPAC Name]
(5S,6R,7E,9E,11Z,13E)-5,6-Dihydroxy-15-oxo-7,9,11,13-icosatétraénoate [French] [ACD/IUPAC Name]
7,9,11,13-Eicosatetraenoic acid, 5,6-dihydroxy-15-oxo-, ion(1-), (5S,6R,7E,9E,11Z,13E)- [ACD/Index Name]
(5S,6R,7E,9E,11Z,13E)-5,6-dihydroxy-15-oxoicosa-7,9,11,13-tetraenoate
15-oxo-(5S,6R)-dihydroxy-(7E,9E,11Z,13E)-eicosatetraenoate
15-oxolipoxin A4(1-)
  • Miscellaneous

    • Chemical Class:

      A hydroxy fatty acid anion obtained by deprotonation of the carboxy function of 15-oxolipoxin A4; major species at pH 7.3. ChEBI CHEBI:78311

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

Density:
Boiling Point: 599.1±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.9 mmHg at 25°C
Enthalpy of Vaporization: 102.4±6.0 kJ/mol
Flash Point: 330.2±26.6 °C
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 5
#H bond donors: 3
#Freely Rotating Bonds: 14
#Rule of 5 Violations: 0
ACD/LogP: 1.83
ACD/LogD (pH 5.5): 1.51
ACD/BCF (pH 5.5): 5.05
ACD/KOC (pH 5.5): 61.55
ACD/LogD (pH 7.4): -0.29
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 98 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site


Advertisement