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Search term: 30777919 (Found by CSID)

ChemSpider 2D Image | 1,3-Bis[(11Z)-11-octadecenoyloxy]-2-propanyl (8Z,11Z,14Z)-8,11,14-icosatrienoate | C59H104O6

1,3-Bis[(11Z)-11-octadecenoyloxy]-2-propanyl (8Z,11Z,14Z)-8,11,14-icosatrienoate

  • Molecular FormulaC59H104O6
  • Average mass909.453 Da
  • Monoisotopic mass908.783264 Da
  • ChemSpider ID30777919
  • Double-bond stereo - Double-bond stereo


More details:






Validated by Experts, Validated by Users, Non-Validated, Removed by Users

(8Z,11Z,14Z)-8,11,14-Icosatriénoate de 1,3-bis[(11Z)-11-octadecenoyloxy]-2-propanyle [French] [ACD/IUPAC Name]
1,3-Bis[(11Z)-11-octadecenoyloxy]-2-propanyl (8Z,11Z,14Z)-8,11,14-icosatrienoate [ACD/IUPAC Name]
1,3-Bis[(11Z)-11-octadecenoyloxy]-2-propanyl-(8Z,11Z,14Z)-8,11,14-icosatrienoat [German] [ACD/IUPAC Name]
8,11,14-Eicosatrienoic acid, 2-[[(11Z)-1-oxo-11-octadecen-1-yl]oxy]-1-[[[(11Z)-1-oxo-11-octadecen-1-yl]oxy]methyl]ethyl ester, (8Z,11Z,14Z)- [ACD/Index Name]
1-(11Z-Octadecenoyl)-2-(8Z,11Z,14Z-eicosatrienoyl)-3-(11Z-octadecenoyl)-glycerol
1,3-bis[(11Z)-octadec-11-enoyloxy]propan-2-yl (8Z,11Z,14Z)-icosa-8,11,14-trienoate
1-Vaccenoyl-2-homo-g-linolenoyl-3-vaccenoyl-glycerol
TAG(18:1/20:3/18:1)
TAG(18:1/20:3n6/18:1)
TAG(18:1/20:3w6/18:1)
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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: 834.3±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.1 mmHg at 25°C
Enthalpy of Vaporization: 121.2±3.0 kJ/mol
Flash Point: 307.0±31.5 °C
Index of Refraction: 1.484
Molar Refractivity: 281.0±0.3 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 53
#Rule of 5 Violations: 2
ACD/LogP: 23.58
ACD/LogD (pH 5.5): 20.55
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 20.55
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 10000000.00
Polar Surface Area: 79 Å2
Polarizability: 111.4±0.5 10-24cm3
Surface Tension: 35.0±3.0 dyne/cm
Molar Volume: 981.3±3.0 cm3

Click to predict properties on the Chemicalize site






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