ChemSpider 2D Image | 3-[(9Z)-9-Hexadecenoyloxy]-2-(tetradecanoyloxy)propyl (9Z,12Z)-9,12-octadecadienoate | C51H92O6

3-[(9Z)-9-Hexadecenoyloxy]-2-(tetradecanoyloxy)propyl (9Z,12Z)-9,12-octadecadienoate

  • Molecular FormulaC51H92O6
  • Average mass801.273 Da
  • Monoisotopic mass800.689392 Da
  • ChemSpider ID59673894

  • 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

(9Z,12Z)-9,12-Octadécadiénoate de 3-[(9Z)-9-hexadecenoyloxy]-2-(tetradecanoyloxy)propyle [French] [ACD/IUPAC Name]
3-[(9Z)-9-Hexadecenoyloxy]-2-(tetradecanoyloxy)propyl (9Z,12Z)-9,12-octadecadienoate [ACD/IUPAC Name]
3-[(9Z)-9-Hexadecenoyloxy]-2-(tetradecanoyloxy)propyl-(9Z,12Z)-9,12-octadecadienoat [German] [ACD/IUPAC Name]
9,12-Octadecadienoic acid, 3-[[(9Z)-1-oxo-9-hexadecen-1-yl]oxy]-2-[(1-oxotetradecyl)oxy]propyl ester, (9Z,12Z)- [ACD/Index Name]
(2S)-3-[(9Z)-hexadec-9-enoyloxy]-2-(tetradecanoyloxy)propyl (9Z,12Z)-octadeca-9,12-dienoate
1-Palmitoleoyl-2-myristoyl-3-linoleoyl-glycerol
TAG(16:1/14:0/18:2)
TAG(16:1n7/14:0/18:2n6)
TAG(16:1w7/14:0/18:2w6)
TAG(48:3)
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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: 765.9±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.6 mmHg at 25°C
Enthalpy of Vaporization: 111.5±3.0 kJ/mol
Flash Point: 289.6±30.2 °C
Index of Refraction: 1.477
Molar Refractivity: 243.8±0.3 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 47
#Rule of 5 Violations: 2
ACD/LogP: 20.52
ACD/LogD (pH 5.5): 19.03
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 19.03
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: 34.8±3.0 dyne/cm
Molar Volume: 862.0±3.0 cm3

Click to predict properties on the Chemicalize site


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