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Search term: 59658562 (Found by CSID)
ChemSpider 2D Image | 1-[(8Z,11Z,14Z,17Z)-8,11,14,17-Icosatetraenoyloxy]-3-[(11Z)-11-octadecenoyloxy]-2-propanyl (13Z,16Z)-13,16-docosadienoate | C63H108O6

1-[(8Z,11Z,14Z,17Z)-8,11,14,17-Icosatetraenoyloxy]-3-[(11Z)-11-octadecenoyloxy]-2-propanyl (13Z,16Z)-13,16-docosadienoate

  • Molecular FormulaC63H108O6
  • Average mass961.528 Da
  • Monoisotopic mass960.814575 Da
  • ChemSpider ID59658562

  • 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

(13Z,16Z)-13,16-Docosadiénoate de 1-[(8Z,11Z,14Z,17Z)-8,11,14,17-icosatetraenoyloxy]-3-[(11Z)-11-octadecenoyloxy]-2-propanyle [French] [ACD/IUPAC Name]
1-[(8Z,11Z,14Z,17Z)-8,11,14,17-Icosatetraenoyloxy]-3-[(11Z)-11-octadecenoyloxy]-2-propanyl (13Z,16Z)-13,16-docosadienoate [ACD/IUPAC Name]
1-[(8Z,11Z,14Z,17Z)-8,11,14,17-Icosatetraenoyloxy]-3-[(11Z)-11-octadecenoyloxy]-2-propanyl-(13Z,16Z)-13,16-docosadienoat [German] [ACD/IUPAC Name]
13,16-Docosadienoic acid, 2-[[(8Z,11Z,14Z,17Z)-1-oxo-8,11,14,17-eicosatetraen-1-yl]oxy]-1-[[[(11Z)-1-oxo-11-octadecen-1-yl]oxy]methyl]ethyl ester, (13Z,16Z)- [ACD/Index Name]
(2S)-1-[(8Z,11Z,14Z,17Z)-icosa-8,11,14,17-tetraenoyloxy]-3-[(11Z)-octadec-11-enoyloxy]propan-2-yl (13Z,16Z)-docosa-13,16-dienoate
1-(11Z-Octadecenoyl)-2-(13Z,16Z-docosadienoyl)-3-(8Z,11Z,14Z,17Z-eicosapentaenoyl)-glycerol
1-Vaccenoyl-2-docosadienoyl-3-eicsoatetraenoyl-glycerol
TAG(18:1/22:2/20:4)
TAG(60:7)
TG(18:1(11Z)/22:2(13Z,16Z)/20:4(8Z,11Z,14Z,17Z))
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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: 24.50
ACD/LogD (pH 5.5): 20.79
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 20.79
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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