ChemSpider 2D Image | 2-[(11Z)-11-Octadecenoyloxy]-1,3-propanediyl (5Z,8Z,11Z,14Z,5'Z,8'Z,11'Z,14'Z)bis(-5,8,11,14-icosatetraenoate) | C61H100O6

2-[(11Z)-11-Octadecenoyloxy]-1,3-propanediyl (5Z,8Z,11Z,14Z,5'Z,8'Z,11'Z,14'Z)bis(-5,8,11,14-icosatetraenoate)

  • Molecular FormulaC61H100O6
  • Average mass929.443 Da
  • Monoisotopic mass928.752014 Da
  • ChemSpider ID24768276

  • Double-bond stereo - Double-bond stereo

More details:

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

(5Z,8Z,11Z,14Z,5'Z,8'Z,11'Z,14'Z)Bis(-5,8,11,14-icosatétraénoate) de 2-[(11Z)-11-octadecenoyloxy]-1,3-propanediyle [French] [ACD/IUPAC Name]
2-[(11Z)-11-Octadecenoyloxy]-1,3-propandiyl-(5Z,8Z,11Z,14Z,5'Z,8'Z,11'Z,14'Z)bis(-5,8,11,14-icosatetraenoat) [German] [ACD/IUPAC Name]
2-[(11Z)-11-Octadecenoyloxy]-1,3-propanediyl (5Z,8Z,11Z,14Z,5'Z,8'Z,11'Z,14'Z)bis(-5,8,11,14-icosatetraenoate) [ACD/IUPAC Name]
5,8,11,14-Eicosatetraenoic acid, 2-[[(11Z)-1-oxo-11-octadecen-1-yl]oxy]-1,3-propanediyl ester, (5Z,8Z,11Z,14Z,5'Z,8'Z,11'Z,14'Z)- [ACD/Index Name]
1-Arachidonoyl-2-vaccenoyl-3-arachidonoyl-glycerol
3-[(5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoyloxy]-2-[(11Z)-octadec-11-enoyloxy]propyl (5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoate
TAG(20:4/18:1/20:4)
TAG(20:4n6/18:1n7/20:4n6)
TAG(20:4w6/18:1w7/20:4w6)
TAG(58:9)
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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: 848.3±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.2 mmHg at 25°C
Enthalpy of Vaporization: 123.3±3.0 kJ/mol
Flash Point: 311.3±34.3 °C
Index of Refraction: 1.499
Molar Refractivity: 290.5±0.3 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 51
#Rule of 5 Violations: 2
ACD/LogP: 22.32
ACD/LogD (pH 5.5): 19.27
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 19.27
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 10000000.00
Polar Surface Area: 79 Å2
Polarizability: 115.1±0.5 10-24cm3
Surface Tension: 35.6±3.0 dyne/cm
Molar Volume: 988.8±3.0 cm3

Click to predict properties on the Chemicalize site


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