ChemSpider 2D Image | (2S)-3-Hydroxy-2-[(11Z)-11-icosenoyloxy]propyl (8Z,11Z,14Z,17Z)-8,11,14,17-icosatetraenoate | C43H74O5

(2S)-3-Hydroxy-2-[(11Z)-11-icosenoyloxy]propyl (8Z,11Z,14Z,17Z)-8,11,14,17-icosatetraenoate

  • Molecular FormulaC43H74O5
  • Average mass671.045 Da
  • Monoisotopic mass670.553650 Da
  • ChemSpider ID24766229

  • 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)-3-Hydroxy-2-[(11Z)-11-icosenoyloxy]propyl (8Z,11Z,14Z,17Z)-8,11,14,17-icosatetraenoate [ACD/IUPAC Name]
(2S)-3-Hydroxy-2-[(11Z)-11-icosenoyloxy]propyl-(8Z,11Z,14Z,17Z)-8,11,14,17-icosatetraenoat [German] [ACD/IUPAC Name]
(8Z,11Z,14Z,17Z)-8,11,14,17-Icosatétraénoate de (2S)-3-hydroxy-2-[(11Z)-11-icosenoyloxy]propyle [French] [ACD/IUPAC Name]
8,11,14,17-Eicosatetraenoic acid, (2S)-3-hydroxy-2-[[(11Z)-1-oxo-11-eicosen-1-yl]oxy]propyl ester, (8Z,11Z,14Z,17Z)- [ACD/Index Name]
(2S)-3-hydroxy-2-[(11Z)-icos-11-enoyloxy]propyl (8Z,11Z,14Z,17Z)-icosa-8,11,14,17-tetraenoate
1-Eicsoate
1-Eicsoatetraenoyl-2-eicosenoyl-sn-glycerol
1-Eicsoic acid
DAG(20:4/20:1)
DAG(20:4n3/20:1n9)
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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: 707.9±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.1 mmHg at 25°C
Enthalpy of Vaporization: 118.3±6.0 kJ/mol
Flash Point: 193.7±26.4 °C
Index of Refraction: 1.493
Molar Refractivity: 206.6±0.3 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 37
#Rule of 5 Violations: 2
ACD/LogP: 15.68
ACD/LogD (pH 5.5): 13.11
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 13.11
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 10000000.00
Polar Surface Area: 73 Å2
Polarizability: 81.9±0.5 10-24cm3
Surface Tension: 36.0±3.0 dyne/cm
Molar Volume: 711.2±3.0 cm3

Click to predict properties on the Chemicalize site


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