ChemSpider 2D Image | 3-[(9Z,12Z,15Z)-9,12,15-Octadecatrienoyloxy]-1,2-propanediyl (8Z,11Z,14Z,8'Z,11'Z,14'Z)bis(-8,11,14-icosatrienoate) | C61H100O6

3-[(9Z,12Z,15Z)-9,12,15-Octadecatrienoyloxy]-1,2-propanediyl (8Z,11Z,14Z,8'Z,11'Z,14'Z)bis(-8,11,14-icosatrienoate)

  • Molecular FormulaC61H100O6
  • Average mass929.443 Da
  • Monoisotopic mass928.752014 Da
  • ChemSpider ID7824147

  • 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

(8Z,11Z,14Z,8'Z,11'Z,14'Z)Bis(-8,11,14-icosatriénoate) de 3-[(9Z,12Z,15Z)-9,12,15-octadecatrienoyloxy]-1,2-propanediyle [French] [ACD/IUPAC Name]
3-[(9Z,12Z,15Z)-9,12,15-Octadecatrienoyloxy]-1,2-propandiyl-(8Z,11Z,14Z,8'Z,11'Z,14'Z)bis(-8,11,14-icosatrienoat) [German] [ACD/IUPAC Name]
3-[(9Z,12Z,15Z)-9,12,15-Octadecatrienoyloxy]-1,2-propanediyl (8Z,11Z,14Z,8'Z,11'Z,14'Z)bis(-8,11,14-icosatrienoate) [ACD/IUPAC Name]
8,11,14-Eicosatrienoic acid, 1-[[[(9Z,12Z,15Z)-1-oxo-9,12,15-octadecatrien-1-yl]oxy]methyl]-1,2-ethanediyl ester, (8Z,11Z,14Z,8'Z,11'Z,14'Z)- [ACD/Index Name]
(2R)-1-[(8Z,11Z,14Z)-icosa-8,11,14-trienoyloxy]-3-[(9Z,12Z,15Z)-octadeca-9,12,15-trienoyloxy]propan-2-yl (8Z,11Z,14Z)-icosa-8,11,14-trienoate
1-(8Z,11Z,14Z-Eicosatrienoyl)-2-(8Z,11Z,14Z-eicosatrienoyl)-3-(9Z,12Z,15Z-octadeatrienoyl)-glycerol
1-(9Z,12Z,15Z-octadecatrienoyl)-2,3-di-(8Z,11Z,14Z-eicosatrienoyl)-sn-glycerol
1-Homo-g-linolenoyl-2-homo-g-linolenoyl-3-a-linolenoyl-glycerol
TAG(20:3/20:3/18:3)
TAG(20:3n6/20:3n6/18:3)
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

LMGL03011236 [DBID]

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: 22.24
ACD/LogD (pH 5.5): 18.93
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 18.93
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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