ChemSpider 2D Image | (2S)-3-[(8Z,11Z,14Z)-8,11,14-Icosatrienoyloxy]-1,2-propanediyl (5Z,8Z,11Z,14Z,17Z,5'Z,8'Z,11'Z,14'Z,17'Z)bis(-5,8,11,14,17-icosapentaenoate) | C63H96O6

(2S)-3-[(8Z,11Z,14Z)-8,11,14-Icosatrienoyloxy]-1,2-propanediyl (5Z,8Z,11Z,14Z,17Z,5'Z,8'Z,11'Z,14'Z,17'Z)bis(-5,8,11,14,17-icosapentaenoate)

  • Molecular FormulaC63H96O6
  • Average mass949.433 Da
  • Monoisotopic mass948.720703 Da
  • ChemSpider ID59662635

  • 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

(2S)-3-[(8Z,11Z,14Z)-8,11,14-Icosatrienoyloxy]-1,2-propandiyl-(5Z,8Z,11Z,14Z,17Z,5'Z,8'Z,11'Z,14'Z,17'Z)bis(-5,8,11,14,17-icosapentaenoat) [German] [ACD/IUPAC Name]
(2S)-3-[(8Z,11Z,14Z)-8,11,14-Icosatrienoyloxy]-1,2-propanediyl (5Z,8Z,11Z,14Z,17Z,5'Z,8'Z,11'Z,14'Z,17'Z)bis(-5,8,11,14,17-icosapentaenoate) [ACD/IUPAC Name]
(5Z,8Z,11Z,14Z,17Z,5'Z,8'Z,11'Z,14'Z,17'Z)Bis(-5,8,11,14,17-icosapentaénoate) de (2S)-3-[(8Z,11Z,14Z)-8,11,14-icosatrienoyloxy]-1,2-propanediyle [French] [ACD/IUPAC Name]
5,8,11,14,17-Eicosapentaenoic acid, (1S)-2-[[(5Z,8Z,11Z,14Z,17Z)-1-oxo-5,8,11,14,17-eicosapentaen-1-yl]oxy]-1-[[[(8Z,11Z,14Z)-1-oxo-8,11,14-eicosatrien-1-yl]oxy]methyl]ethyl ester, (5Z,8Z,11Z,14Z,17Z) - [ACD/Index Name]
(2S)-1-[(5Z,8Z,11Z,14Z,17Z)-icosa-5,8,11,14,17-pentaenoyloxy]-3-[(8Z,11Z,14Z)-icosa-8,11,14-trienoyloxy]propan-2-yl (5Z,8Z,11Z,14Z,17Z)-icosa-5,8,11,14,17-pentaenoate
1-(8Z,11Z,14Z-Eicosatrienoyl)-2-(5Z,8Z,11Z,14Z,17Z-eicosapentaenoyl)-3-(5Z,8Z,11Z,14Z,17Z-eicosapentaenoyl)-glycerol
1-Homo-g-linolenoyl-2-eicosapentaenoyl-3-eicosapentaenoyl-glycerol
TAG(20:3/20:5/20:5)
TAG(20:3n6/20:5/20:5)
TAG(20:3w6/20:5/20:5)
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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: 1.0±0.1 g/cm3
Boiling Point: 862.2±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.3 mmHg at 25°C
Enthalpy of Vaporization: 125.3±3.0 kJ/mol
Flash Point: 315.6±34.3 °C
Index of Refraction: 1.514
Molar Refractivity: 300.0±0.3 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 49
#Rule of 5 Violations: 2
ACD/LogP: 20.83
ACD/LogD (pH 5.5): 17.33
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 17.33
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 10000000.00
Polar Surface Area: 79 Å2
Polarizability: 118.9±0.5 10-24cm3
Surface Tension: 36.2±3.0 dyne/cm
Molar Volume: 996.3±3.0 cm3

Click to predict properties on the Chemicalize site


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