ChemSpider 2D Image | 2-(Palmitoyloxy)-3-(tetradecanoyloxy)propyl (11Z)-11-octadecenoate | C51H96O6

2-(Palmitoyloxy)-3-(tetradecanoyloxy)propyl (11Z)-11-octadecenoate

  • Molecular FormulaC51H96O6
  • Average mass805.304 Da
  • Monoisotopic mass804.720703 Da
  • ChemSpider ID59651694

  • 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

(11Z)-11-Octadécénoate de 2-(palmitoyloxy)-3-(tetradecanoyloxy)propyle [French] [ACD/IUPAC Name]
11-Octadecenoic acid, 2-[(1-oxohexadecyl)oxy]-3-[(1-oxotetradecyl)oxy]propyl ester, (11Z)- [ACD/Index Name]
2-(Palmitoyloxy)-3-(tetradecanoyloxy)propyl (11Z)-11-octadecenoate [ACD/IUPAC Name]
2-(Palmitoyloxy)-3-(tetradecanoyloxy)propyl-(11Z)-11-octadecenoat [German] [ACD/IUPAC Name]
(2S)-2-(hexadecanoyloxy)-3-(tetradecanoyloxy)propyl (11Z)-octadec-11-enoate
1-Myristoyl-2-palmitoyl-3-vaccenoyl-glycerol
1-Tetradecanoyl-2-hexadecanoyl-3-(11Z-octadecenoyl)-glycerol
TAG(14:0/16:0/18:1)
TAG(48:1)
TG(14:0/16:0/18:1(11Z))
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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: 759.0±27.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.6 mmHg at 25°C
Enthalpy of Vaporization: 110.6±3.0 kJ/mol
Flash Point: 286.1±23.8 °C
Index of Refraction: 1.469
Molar Refractivity: 243.7±0.3 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 49
#Rule of 5 Violations: 2
ACD/LogP: 21.56
ACD/LogD (pH 5.5): 20.23
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 20.23
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 10000000.00
Polar Surface Area: 79 Å2
Polarizability: 96.6±0.5 10-24cm3
Surface Tension: 34.5±3.0 dyne/cm
Molar Volume: 874.8±3.0 cm3

Click to predict properties on the Chemicalize site


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