ChemSpider 2D Image | 2,3-Bis(stearoyloxy)propyl (11Z)-11-octadecenoate | C57H108O6

2,3-Bis(stearoyloxy)propyl (11Z)-11-octadecenoate

  • Molecular FormulaC57H108O6
  • Average mass889.464 Da
  • Monoisotopic mass888.814575 Da
  • ChemSpider ID24768207

  • 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 2,3-bis(stearoyloxy)propyle [French] [ACD/IUPAC Name]
11-Octadecenoic acid, 2,3-bis[(1-oxooctadecyl)oxy]propyl ester, (11Z)- [ACD/Index Name]
2,3-Bis(stearoyloxy)propyl (11Z)-11-octadecenoate [ACD/IUPAC Name]
2,3-Bis(stearoyloxy)propyl-(11Z)-11-octadecenoat [German] [ACD/IUPAC Name]
(2R)-2,3-bis(octadecanoyloxy)propyl (11Z)-octadec-11-enoate
1-Stearoyl-2-stearoyl-3-vaccenoyl-glycerol
TAG(18:0/18:0/18:1)
TAG(18:0/18:0/18:1n7)
TAG(18:0/18:0/18:1w7)
TAG(54:1)
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 0.9±0.1 g/cm3
Boiling Point: 812.2±32.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.9 mmHg at 25°C
Enthalpy of Vaporization: 118.1±3.0 kJ/mol
Flash Point: 299.4±25.2 °C
Index of Refraction: 1.470
Molar Refractivity: 271.5±0.3 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 55
#Rule of 5 Violations: 2
ACD/LogP: 24.75
ACD/LogD (pH 5.5): 23.01
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 23.01
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 10000000.00
Polar Surface Area: 79 Å2
Polarizability: 107.6±0.5 10-24cm3
Surface Tension: 34.4±3.0 dyne/cm
Molar Volume: 973.9±3.0 cm3

Click to predict properties on the Chemicalize site


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