ChemSpider 2D Image | TG(16:1(9Z)/14:0/18:1(11Z))[iso6] | C51H94O6

TG(16:1(9Z)/14:0/18:1(11Z))[iso6]

  • Molecular FormulaC51H94O6
  • Average mass803.289 Da
  • Monoisotopic mass802.705017 Da
  • ChemSpider ID24768195

  • 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 3-[(9Z)-9-hexadecenoyloxy]-2-(tetradecanoyloxy)propyle [French] [ACD/IUPAC Name]
11-Octadecenoic acid, 3-[[(9Z)-1-oxo-9-hexadecen-1-yl]oxy]-2-[(1-oxotetradecyl)oxy]propyl ester, (11Z)- [ACD/Index Name]
3-[(9Z)-9-Hexadecenoyloxy]-2-(tetradecanoyloxy)propyl (11Z)-11-octadecenoate [ACD/IUPAC Name]
3-[(9Z)-9-Hexadecenoyloxy]-2-(tetradecanoyloxy)propyl-(11Z)-11-octadecenoat [German] [ACD/IUPAC Name]
TG(16:1(9Z)/14:0/18:1(11Z))[iso6]
(2S)-3-[(9Z)-hexadec-9-enoyloxy]-2-(tetradecanoyloxy)propyl (11Z)-octadec-11-enoate
1-Palmitoleoyl-2-myristoyl-3-vaccenoyl-glycerol
TAG(16:1/14:0/18:1)
TAG(16:1n7/14:0/18:1n7)
TAG(16:1w7/14:0/18:1w7)
More...

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 0.9±0.1 g/cm3
Boiling Point: 763.8±30.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.6 mmHg at 25°C
Enthalpy of Vaporization: 111.2±3.0 kJ/mol
Flash Point: 288.4±24.6 °C
Index of Refraction: 1.473
Molar Refractivity: 243.7±0.3 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 48
#Rule of 5 Violations: 2
ACD/LogP: 21.04
ACD/LogD (pH 5.5): 19.50
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 19.50
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: 34.7±3.0 dyne/cm
Molar Volume: 868.4±3.0 cm3

Click to predict properties on the Chemicalize site


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