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Search term: 59651897 (Found by CSID)
ChemSpider 2D Image | 3-(Tetradecanoyloxy)-1,2-propanediyl (11Z,11'Z)bis(-11-octadecenoate) | C53H98O6

3-(Tetradecanoyloxy)-1,2-propanediyl (11Z,11'Z)bis(-11-octadecenoate)

  • Molecular FormulaC53H98O6
  • Average mass831.342 Da
  • Monoisotopic mass830.736328 Da
  • ChemSpider ID59651897

  • 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-octadécénoate) de 3-(tetradecanoyloxy)-1,2-propanediyle [French] [ACD/IUPAC Name]
11-Octadecenoic acid, 1-[[(1-oxotetradecyl)oxy]methyl]-1,2-ethanediyl ester, (11Z,11'Z)- [ACD/Index Name]
3-(Tetradecanoyloxy)-1,2-propandiyl-(11Z,11'Z)bis(-11-octadecenoat) [German] [ACD/IUPAC Name]
3-(Tetradecanoyloxy)-1,2-propanediyl (11Z,11'Z)bis(-11-octadecenoate) [ACD/IUPAC Name]
(2S)-1-[(11Z)-octadec-11-enoyloxy]-3-(tetradecanoyloxy)propan-2-yl (11Z)-octadec-11-enoate
1-Myristoyl-2-vaccenoyl-3-vaccenoyl-glycerol
1-Tetradecanoyl-2-(11Z-octadecenoyl)-3-(11Z-octadecenoyl)-glycerol
TAG(14:0/18:1/18:1)
TAG(50:2)
TG(14:0/18:1(11Z)/18:1(11Z))
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: 776.3±27.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.7 mmHg at 25°C
Enthalpy of Vaporization: 113.0±3.0 kJ/mol
Flash Point: 290.8±23.8 °C
Index of Refraction: 1.473
Molar Refractivity: 253.0±0.3 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 50
#Rule of 5 Violations: 2
ACD/LogP: 22.10
ACD/LogD (pH 5.5): 20.53
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 20.53
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 10000000.00
Polar Surface Area: 79 Å2
Polarizability: 100.3±0.5 10-24cm3
Surface Tension: 34.6±3.0 dyne/cm
Molar Volume: 901.4±3.0 cm3

Click to predict properties on the Chemicalize site


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