ChemSpider 2D Image | 2-[(11Z,14Z)-11,14-Icosadienoyloxy]-3-[(9Z,12Z,15Z)-9,12,15-octadecatrienoyloxy]propyl henicosanoate | C62H110O6

2-[(11Z,14Z)-11,14-Icosadienoyloxy]-3-[(9Z,12Z,15Z)-9,12,15-octadecatrienoyloxy]propyl henicosanoate

  • Molecular FormulaC62H110O6
  • Average mass951.533 Da
  • Monoisotopic mass950.830261 Da
  • ChemSpider ID7824317

  • 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-[(11Z,14Z)-11,14-Icosadienoyloxy]-3-[(9Z,12Z,15Z)-9,12,15-octadecatrienoyloxy]propyl henicosanoate [ACD/IUPAC Name]
2-[(11Z,14Z)-11,14-Icosadienoyloxy]-3-[(9Z,12Z,15Z)-9,12,15-octadecatrienoyloxy]propyl-henicosanoat [German] [ACD/IUPAC Name]
Heneicosanoic acid, 2-[[(11Z,14Z)-1-oxo-11,14-eicosadien-1-yl]oxy]-3-[[(9Z,12Z,15Z)-1-oxo-9,12,15-octadecatrien-1-yl]oxy]propyl ester [ACD/Index Name]
Hénicosanoate de 2-[(11Z,14Z)-11,14-icosadienoyloxy]-3-[(9Z,12Z,15Z)-9,12,15-octadecatrienoyloxy]propyle [French] [ACD/IUPAC Name]
1-(9Z,12Z,15Z-octadecatrienoyl)-2-(11Z,14Z-eicosadienoyl)-3-heneicosanoyl-sn-glycerol
TG(18:3(9Z,12Z,15Z)/20:2(11Z,14Z)/21:0)[iso6]
TG(18:3/20:2/21:0)[iso6]
TG(18:320:221:0)
TG(59:5)

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

LMGL03011406 [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: 859.3±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.3 mmHg at 25°C
Enthalpy of Vaporization: 124.9±3.0 kJ/mol
Flash Point: 312.7±32.9 °C
Index of Refraction: 1.484
Molar Refractivity: 294.9±0.3 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 56
#Rule of 5 Violations: 2
ACD/LogP: 25.17
ACD/LogD (pH 5.5): 22.74
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 22.74
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 10000000.00
Polar Surface Area: 79 Å2
Polarizability: 116.9±0.5 10-24cm3
Surface Tension: 34.9±3.0 dyne/cm
Molar Volume: 1030.8±3.0 cm3

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