ChemSpider 2D Image | 3-[(9Z)-9-Hexadecenoyloxy]-2-(tetradecanoyloxy)propyl stearate | C51H96O6

3-[(9Z)-9-Hexadecenoyloxy]-2-(tetradecanoyloxy)propyl stearate

  • Molecular FormulaC51H96O6
  • Average mass805.304 Da
  • Monoisotopic mass804.720703 Da
  • ChemSpider ID59673898

  • 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

3-[(9Z)-9-Hexadecenoyloxy]-2-(tetradecanoyloxy)propyl stearate [ACD/IUPAC Name]
3-[(9Z)-9-Hexadecenoyloxy]-2-(tetradecanoyloxy)propylstearat [German] [ACD/IUPAC Name]
Octadecanoic acid, 3-[[(9Z)-1-oxo-9-hexadecen-1-yl]oxy]-2-[(1-oxotetradecyl)oxy]propyl ester [ACD/Index Name]
Stéarate de 3-[(9Z)-9-hexadecenoyloxy]-2-(tetradecanoyloxy)propyle [French] [ACD/IUPAC Name]
(2S)-3-[(9Z)-hexadec-9-enoyloxy]-2-(tetradecanoyloxy)propyl octadecanoate
1-Stearoyl-2-myristoyl-3-palmitoleoyl-glycerol
TAG(18:0/14:0/16:1)
TAG(18:0/14:0/16:1n7)
TAG(18:0/14:0/16:1w7)
TAG(48:1)
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: 764.6±30.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.6 mmHg at 25°C
Enthalpy of Vaporization: 111.4±3.0 kJ/mol
Flash Point: 288.4±24.6 °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): 20.31
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 20.31
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


Advertisement