ChemSpider 2D Image | 1-[(8Z,11Z,14Z)-8,11,14-Icosatrienoyloxy]-3-[(11Z)-11-icosenoyloxy]-2-propanyl (5Z,8Z,11Z)-5,8,11-icosatrienoate | C63H108O6

1-[(8Z,11Z,14Z)-8,11,14-Icosatrienoyloxy]-3-[(11Z)-11-icosenoyloxy]-2-propanyl (5Z,8Z,11Z)-5,8,11-icosatrienoate

  • Molecular FormulaC63H108O6
  • Average mass961.528 Da
  • Monoisotopic mass960.814575 Da
  • ChemSpider ID59660462

  • 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

(5Z,8Z,11Z)-5,8,11-Icosatriénoate de 1-[(8Z,11Z,14Z)-8,11,14-icosatrienoyloxy]-3-[(11Z)-11-icosenoyloxy]-2-propanyle [French] [ACD/IUPAC Name]
1-[(8Z,11Z,14Z)-8,11,14-Icosatrienoyloxy]-3-[(11Z)-11-icosenoyloxy]-2-propanyl (5Z,8Z,11Z)-5,8,11-icosatrienoate [ACD/IUPAC Name]
1-[(8Z,11Z,14Z)-8,11,14-Icosatrienoyloxy]-3-[(11Z)-11-icosenoyloxy]-2-propanyl-(5Z,8Z,11Z)-5,8,11-icosatrienoat [German] [ACD/IUPAC Name]
5,8,11-Eicosatrienoic acid, 2-[[(8Z,11Z,14Z)-1-oxo-8,11,14-eicosatrien-1-yl]oxy]-1-[[[(11Z)-1-oxo-11-eicosen-1-yl]oxy]methyl]ethyl ester, (5Z,8Z,11Z)- [ACD/Index Name]
(2S)-1-[(11Z)-icos-11-enoyloxy]-3-[(8Z,11Z,14Z)-icosa-8,11,14-trienoyloxy]propan-2-yl (5Z,8Z,11Z)-icosa-5,8,11-trienoate
1-(11-Eicosenoyl)-2-(5Z,8Z,11Z-eicosatrienoyl)-3-(8Z,11Z,14Z-eicosatrienoyl)-glycerol
1-Eicosenoyl-2-meadoyl-3-homo-g-linolenoyl-glycerol
TAG(20:1/20:3/20:3)
TAG(20:1/20:3/20:3n6)
TAG(20:1/20:3/20:3w6)
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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: 866.2±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.3 mmHg at 25°C
Enthalpy of Vaporization: 125.9±3.0 kJ/mol
Flash Point: 314.8±34.3 °C
Index of Refraction: 1.491
Molar Refractivity: 299.6±0.3 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 55
#Rule of 5 Violations: 2
ACD/LogP: 24.63
ACD/LogD (pH 5.5): 22.17
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 22.17
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 10000000.00
Polar Surface Area: 79 Å2
Polarizability: 118.8±0.5 10-24cm3
Surface Tension: 35.2±3.0 dyne/cm
Molar Volume: 1034.6±3.0 cm3

Click to predict properties on the Chemicalize site


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