ChemSpider 2D Image | 5(S),15(R)-DiHETE | C20H32O4

5(S),15(R)-DiHETE

  • Molecular FormulaC20H32O4
  • Average mass336.466 Da
  • Monoisotopic mass336.230072 Da
  • ChemSpider ID58164154

  • 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,6E,8Z,11Z,13E,15R)-5,15-Dihydroxy-6,8,11,13-icosatetraenoic acid [ACD/IUPAC Name]
(5S,6E,8Z,11Z,13E,15R)-5,15-Dihydroxy-6,8,11,13-icosatetraensäure [German] [ACD/IUPAC Name]
5(S),15(R)-DiHETE
6,8,11,13-Eicosatetraenoic acid, 5,15-dihydroxy-, (5S,6E,8Z,11Z,13E,15R)- [ACD/Index Name]
Acide (5S,6E,8Z,11Z,13E,15R)-5,15-dihydroxy-6,8,11,13-icosatétraénoïque [French] [ACD/IUPAC Name]
(5S,6E,8Z,11Z,13E,15R)-5,15-dihydroxyicosa-6,8,11,13-tetraenoic acid
(5S,6E,8Z,11Z,13E,15R)-5,15-dihydroxyicosatetraenoic acid
5S,15R-diHETE
5S,15R-dihydroxy-6E,8Z,11Z,13E-eicosatetraenoic acid
  • Miscellaneous

    • Chemical Class:

      A DiHETE that is (6<stereo>E</stereo>,8<stereo>Z</stereo>,11<stereo>Z</stereo>,13<stereo>E</stereo>)-icosatetraenoic acid in which the two hydroxy substituents are placed at the 5<stereo>S</stereo>- a nd 15<stereo>R</stereo>-positions. ChEBI CHEBI:91138
      A DiHETE that is (6E,8Z,11Z,13E)-icosatetraenoic acid in which the two hydroxy substituents are placed at the 5S- a; nd 15R-positions. ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:91138
      A DiHETE that is (6E,8Z,11Z,13E)-icosatetraenoic acid in which the two hydroxy substituents are placed at the 5S- and 15R-positions. ChEBI CHEBI:91138

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

Density: 1.0±0.1 g/cm3
Boiling Point: 537.6±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.2 mmHg at 25°C
Enthalpy of Vaporization: 93.7±6.0 kJ/mol
Flash Point: 293.0±26.6 °C
Index of Refraction: 1.527
Molar Refractivity: 99.5±0.3 cm3
#H bond acceptors: 4
#H bond donors: 3
#Freely Rotating Bonds: 14
#Rule of 5 Violations: 0
ACD/LogP: 3.87
ACD/LogD (pH 5.5): 2.48
ACD/BCF (pH 5.5): 27.55
ACD/KOC (pH 5.5): 207.18
ACD/LogD (pH 7.4): 0.68
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 3.27
Polar Surface Area: 78 Å2
Polarizability: 39.4±0.5 10-24cm3
Surface Tension: 42.6±3.0 dyne/cm
Molar Volume: 323.5±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement