ChemSpider 2D Image | 3-(Palmitoyloxy)-1,2-propanediyl (11Z,11'Z)bis(-11-icosenoate) | C59H110O6

3-(Palmitoyloxy)-1,2-propanediyl (11Z,11'Z)bis(-11-icosenoate)

  • Molecular FormulaC59H110O6
  • Average mass915.501 Da
  • Monoisotopic mass914.830261 Da
  • ChemSpider ID59651523

  • 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'Z)Bis(-11-icosénoate) de 3-(palmitoyloxy)-1,2-propanediyle [French] [ACD/IUPAC Name]
11-Eicosenoic acid, 1-[[(1-oxohexadecyl)oxy]methyl]-1,2-ethanediyl ester, (11Z,11'Z)- [ACD/Index Name]
3-(Palmitoyloxy)-1,2-propandiyl-(11Z,11'Z)bis(-11-icosenoat) [German] [ACD/IUPAC Name]
3-(Palmitoyloxy)-1,2-propanediyl (11Z,11'Z)bis(-11-icosenoate) [ACD/IUPAC Name]
(2S)-1-(hexadecanoyloxy)-3-[(11Z)-icos-11-enoyloxy]propan-2-yl (11Z)-icos-11-enoate
1-Palmitoyl-2-eicosenoyl-3-eicosenoyl-glycerol
TAG(16:0/20:1/20:1)
TAG(16:0/20:1n9/20:1n9)
TAG(16:0/20:1w9/20:1w9)
TAG(56:2)
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: 828.6±32.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.0 mmHg at 25°C
Enthalpy of Vaporization: 120.4±3.0 kJ/mol
Flash Point: 303.6±25.2 °C
Index of Refraction: 1.473
Molar Refractivity: 280.8±0.3 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 56
#Rule of 5 Violations: 2
ACD/LogP: 25.29
ACD/LogD (pH 5.5): 23.63
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 23.63
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 10000000.00
Polar Surface Area: 79 Å2
Polarizability: 111.3±0.5 10-24cm3
Surface Tension: 34.5±3.0 dyne/cm
Molar Volume: 1000.5±3.0 cm3

Click to predict properties on the Chemicalize site


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