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Search term: 59662027 (Found by CSID)
ChemSpider 2D Image | (2R)-3-(Octadecyloxy)-2-(palmitoyloxy)propyl (11Z,14Z)-11,14-icosadienoate | C57H108O5

(2R)-3-(Octadecyloxy)-2-(palmitoyloxy)propyl (11Z,14Z)-11,14-icosadienoate

  • Molecular FormulaC57H108O5
  • Average mass873.464 Da
  • Monoisotopic mass872.819702 Da
  • ChemSpider ID59662027

  • 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

(11Z,14Z)-11,14-Icosadiénoate de (2R)-3-(octadécyloxy)-2-(palmitoyloxy)propyle [French] [ACD/IUPAC Name]
(2R)-3-(Octadecyloxy)-2-(palmitoyloxy)propyl (11Z,14Z)-11,14-icosadienoate [ACD/IUPAC Name]
(2R)-3-(Octadecyloxy)-2-(palmitoyloxy)propyl-(11Z,14Z)-11,14-icosadienoat [German] [ACD/IUPAC Name]
11,14-Eicosadienoic acid, (2R)-3-(octadecyloxy)-2-[(1-oxohexadecyl)oxy]propyl ester, (11Z,14Z)- [ACD/Index Name]
(2R)-2-(hexadecanoyloxy)-3-(octadecyloxy)propyl (11Z,14Z)-icosa-11,14-dienoate
1-(11Z,14Z-Eicosadienoyl)-2-hexadecanoyl-3-octadecanyl-glycerol
1-Eicosadienoyl-2-palmitoyl-3-Stearyl-glycerol
TAG(20:2/16:0/18:0)
TAG(20:2n6/16:0/18:0)
TAG(20:2w6/16:0/18:0)
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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: 820.4±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.0 mmHg at 25°C
Enthalpy of Vaporization: 119.2±3.0 kJ/mol
Flash Point: 303.1±31.5 °C
Index of Refraction: 1.472
Molar Refractivity: 271.5±0.3 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 54
#Rule of 5 Violations: 2
ACD/LogP: 25.03
ACD/LogD (pH 5.5): 23.11
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 23.11
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 10000000.00
Polar Surface Area: 62 Å2
Polarizability: 107.6±0.5 10-24cm3
Surface Tension: 33.9±3.0 dyne/cm
Molar Volume: 970.4±3.0 cm3

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