ChemSpider 2D Image | (2S)-2-(Icosanoyloxy)-3-(palmitoyloxy)propyl (5Z,8Z,11Z,14Z)-5,8,11,14-icosatetraenoate | C59H106O6

(2S)-2-(Icosanoyloxy)-3-(palmitoyloxy)propyl (5Z,8Z,11Z,14Z)-5,8,11,14-icosatetraenoate

  • Molecular FormulaC59H106O6
  • Average mass911.469 Da
  • Monoisotopic mass910.798950 Da
  • ChemSpider ID59651511

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(2S)-2-(Icosanoyloxy)-3-(palmitoyloxy)propyl (5Z,8Z,11Z,14Z)-5,8,11,14-icosatetraenoate [ACD/IUPAC Name]
(2S)-2-(Icosanoyloxy)-3-(palmitoyloxy)propyl-(5Z,8Z,11Z,14Z)-5,8,11,14-icosatetraenoat [German] [ACD/IUPAC Name]
(5Z,8Z,11Z,14Z)-5,8,11,14-Icosatétraénoate de (2S)-2-(icosanoyloxy)-3-(palmitoyloxy)propyle [French] [ACD/IUPAC Name]
5,8,11,14-Eicosatetraenoic acid, (2S)-2-[(1-oxoeicosyl)oxy]-3-[(1-oxohexadecyl)oxy]propyl ester, (5Z,8Z,11Z,14Z)- [ACD/Index Name]
(2S)-3-(hexadecanoyloxy)-2-(icosanoyloxy)propyl (5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoate
1-Palmitoyl-2-arachidonyl-3-arachidonoyl-glycerol
TAG(16:0/20:0/20:4)
TAG(16:0/20:0/20:4n6)
TAG(16:0/20:0/20:4w6)
TAG(56:4)
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

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

Density: 0.9±0.1 g/cm3
Boiling Point: 835.0±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.1 mmHg at 25°C
Enthalpy of Vaporization: 121.3±3.0 kJ/mol
Flash Point: 306.9±34.3 °C
Index of Refraction: 1.481
Molar Refractivity: 280.9±0.3 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 54
#Rule of 5 Violations: 2
ACD/LogP: 24.05
ACD/LogD (pH 5.5): 22.02
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 22.02
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 10000000.00
Polar Surface Area: 79 Å2
Polarizability: 111.4±0.5 10-24cm3
Surface Tension: 34.9±3.0 dyne/cm
Molar Volume: 987.7±3.0 cm3

Click to predict properties on the Chemicalize site


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