ChemSpider 2D Image | (5S,6E,8E,11E,13E,15S)-5,15-Dihydroxy-6,8,11,13-icosatetraenoic acid | C20H32O4

(5S,6E,8E,11E,13E,15S)-5,15-Dihydroxy-6,8,11,13-icosatetraenoic acid

  • Molecular FormulaC20H32O4
  • Average mass336.466 Da
  • Monoisotopic mass336.230072 Da
  • ChemSpider ID31044555
  • 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,8E,11E,13E,15S)-5,15-Dihydroxy-6,8,11,13-icosatetraenoic acid [ACD/IUPAC Name]
(5S,6E,8E,11E,13E,15S)-5,15-Dihydroxy-6,8,11,13-icosatetraensäure [German] [ACD/IUPAC Name]
6,8,11,13-Eicosatetraenoic acid, 5,15-dihydroxy-, (5S,6E,8E,11E,13E,15S)- [ACD/Index Name]
Acide (5S,6E,8E,11E,13E,15S)-5,15-dihydroxy-6,8,11,13-icosatétraénoïque [French] [ACD/IUPAC Name]
(5S,6E,15S)-5,15-dihydroxyicosa-6,8,11,13-tetraenoic acid
5(S),15(S)-DIHETE
5,15-Dihete
82200-87-1 [RN]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

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

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