ChemSpider 2D Image | 2-[(9Z,12Z,15Z)-9,12,15-Octadecatrienoyloxy]-3-[(9Z)-9-tetradecenoyloxy]propyl icosanoate | C55H98O6

2-[(9Z,12Z,15Z)-9,12,15-Octadecatrienoyloxy]-3-[(9Z)-9-tetradecenoyloxy]propyl icosanoate

  • Molecular FormulaC55H98O6
  • Average mass855.363 Da
  • Monoisotopic mass854.736328 Da
  • ChemSpider ID59655391

  • 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

2-[(9Z,12Z,15Z)-9,12,15-Octadecatrienoyloxy]-3-[(9Z)-9-tetradecenoyloxy]propyl icosanoate [ACD/IUPAC Name]
2-[(9Z,12Z,15Z)-9,12,15-Octadecatrienoyloxy]-3-[(9Z)-9-tetradecenoyloxy]propyl-icosanoat [German] [ACD/IUPAC Name]
Eicosanoic acid, 2-[[(9Z,12Z,15Z)-1-oxo-9,12,15-octadecatrien-1-yl]oxy]-3-[[(9Z)-1-oxo-9-tetradecen-1-yl]oxy]propyl ester [ACD/Index Name]
Icosanoate de 2-[(9Z,12Z,15Z)-9,12,15-octadecatrienoyloxy]-3-[(9Z)-9-tetradecenoyloxy]propyle [French] [ACD/IUPAC Name]
(2S)-2-[(9Z,12Z,15Z)-octadeca-9,12,15-trienoyloxy]-3-[(9Z)-tetradec-9-enoyloxy]propyl icosanoate
1-(9Z-tetradecenoyl)-2-(9Z,12Z,15Z-octadecatrienoyl)-3-eicosanoyl-sn-glycerol
1-Arachidonyl-2-a-linolenoyl-3-myristoleoyl-glycerol
1-Eicosanoyl-2-(9Z,12Z,15Z-octadeatrienoyl)-3-(9Z-tetradecenoyl)-glycerol
TAG(20:0/18:3/14:1)
TAG(52:4)
More...

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: 800.7±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.8 mmHg at 25°C
Enthalpy of Vaporization: 116.4±3.0 kJ/mol
Flash Point: 298.6±34.3 °C
Index of Refraction: 1.481
Molar Refractivity: 262.4±0.3 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 50
#Rule of 5 Violations: 2
ACD/LogP: 21.97
ACD/LogD (pH 5.5): 19.43
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 19.43
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 10000000.00
Polar Surface Area: 79 Å2
Polarizability: 104.0±0.5 10-24cm3
Surface Tension: 34.9±3.0 dyne/cm
Molar Volume: 921.7±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement