ChemSpider 2D Image | 2-[(9Z,12Z)-9,12-Octadecadienoyloxy]-3-[(9Z)-9-octadecenoyloxy]propyl icosanoate | C59H108O6

2-[(9Z,12Z)-9,12-Octadecadienoyloxy]-3-[(9Z)-9-octadecenoyloxy]propyl icosanoate

  • Molecular FormulaC59H108O6
  • Average mass913.485 Da
  • Monoisotopic mass912.814575 Da
  • ChemSpider ID59651589

  • 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

2-[(9Z,12Z)-9,12-Octadecadienoyloxy]-3-[(9Z)-9-octadecenoyloxy]propyl icosanoate [ACD/IUPAC Name]
2-[(9Z,12Z)-9,12-Octadecadienoyloxy]-3-[(9Z)-9-octadecenoyloxy]propyl-icosanoat [German] [ACD/IUPAC Name]
Eicosanoic acid, 2-[[(9Z,12Z)-1-oxo-9,12-octadecadien-1-yl]oxy]-3-[[(9Z)-1-oxo-9-octadecen-1-yl]oxy]propyl ester [ACD/Index Name]
Icosanoate de 2-[(9Z,12Z)-9,12-octadecadienoyloxy]-3-[(9Z)-9-octadecenoyloxy]propyle [French] [ACD/IUPAC Name]
(2R)-3-[(9Z)-octadec-9-enoyloxy]-2-[(9Z,12Z)-octadeca-9,12-dienoyloxy]propyl icosanoate
1-Oleoyl-2-linoleoyl-3-arachidonyl-glycerol
TAG(18:1/18:2/20:0)
TAG(18:1n9/18:2n6/20:0)
TAG(18:1w9/18:2w6/20:0)
TAG(56:3)
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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: 835.7±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.1 mmHg at 25°C
Enthalpy of Vaporization: 121.4±3.0 kJ/mol
Flash Point: 306.7±31.5 °C
Index of Refraction: 1.477
Molar Refractivity: 280.8±0.3 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 55
#Rule of 5 Violations: 2
ACD/LogP: 24.77
ACD/LogD (pH 5.5): 22.81
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 22.81
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 10000000.00
Polar Surface Area: 79 Å2
Polarizability: 111.3±0.5 10-24cm3
Surface Tension: 34.7±3.0 dyne/cm
Molar Volume: 994.1±3.0 cm3

Click to predict properties on the Chemicalize site


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