ChemSpider 2D Image | (2R)-1-[(8Z,11Z,14Z)-8,11,14-Icosatrienoyloxy]-3-(octadecyloxy)-2-propanyl (5Z,8Z,11Z)-5,8,11-icosatrienoate | C61H108O5

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

  • Molecular FormulaC61H108O5
  • Average mass921.507 Da
  • Monoisotopic mass920.819702 Da
  • ChemSpider ID59662487

  • 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

(2R)-1-[(8Z,11Z,14Z)-8,11,14-Icosatrienoyloxy]-3-(octadecyloxy)-2-propanyl (5Z,8Z,11Z)-5,8,11-icosatrienoate [ACD/IUPAC Name]
(2R)-1-[(8Z,11Z,14Z)-8,11,14-Icosatrienoyloxy]-3-(octadecyloxy)-2-propanyl-(5Z,8Z,11Z)-5,8,11-icosatrienoat [German] [ACD/IUPAC Name]
(5Z,8Z,11Z)-5,8,11-Icosatriénoate de (2R)-1-[(8Z,11Z,14Z)-8,11,14-icosatrienoyloxy]-3-(octadécyloxy)-2-propanyle [French] [ACD/IUPAC Name]
5,8,11-Eicosatrienoic acid, (1R)-2-(octadecyloxy)-1-[[[(8Z,11Z,14Z)-1-oxo-8,11,14-eicosatrien-1-yl]oxy]methyl]ethyl ester, (5Z,8Z,11Z)- [ACD/Index Name]
(2R)-1-[(8Z,11Z,14Z)-icosa-8,11,14-trienoyloxy]-3-(octadecyloxy)propan-2-yl (5Z,8Z,11Z)-icosa-5,8,11-trienoate
1-(8Z,11Z,14Z-Eicosatrienoyl)-2-(5Z,8Z,11Z-eicosatrienoyl)-3-octadecanyl-glycerol
1-Homo-g-linolenoyl-2-meadoyl-3-Stearyl-glycerol
TAG(20:3/20:3/18:0)
TAG(20:3n6/20:3/18:0)
TAG(20:3w6/20:3/18:0)
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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: 851.2±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.2 mmHg at 25°C
Enthalpy of Vaporization: 123.7±3.0 kJ/mol
Flash Point: 311.4±34.3 °C
Index of Refraction: 1.486
Molar Refractivity: 290.3±0.3 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 54
#Rule of 5 Violations: 2
ACD/LogP: 24.88
ACD/LogD (pH 5.5): 22.58
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 22.58
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 10000000.00
Polar Surface Area: 62 Å2
Polarizability: 115.1±0.5 10-24cm3
Surface Tension: 34.4±3.0 dyne/cm
Molar Volume: 1010.8±3.0 cm3

Click to predict properties on the Chemicalize site


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