ChemSpider 2D Image | 3-(Palmitoyloxy)-2-(tetradecanoyloxy)propyl (9Z)-9-hexadecenoate | C49H92O6

3-(Palmitoyloxy)-2-(tetradecanoyloxy)propyl (9Z)-9-hexadecenoate

  • Molecular FormulaC49H92O6
  • Average mass777.251 Da
  • Monoisotopic mass776.689392 Da
  • ChemSpider ID24768189
  • 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)-9-Hexadécénoate de 3-(palmitoyloxy)-2-(tetradecanoyloxy)propyle [French] [ACD/IUPAC Name]
3-(Palmitoyloxy)-2-(tetradecanoyloxy)propyl (9Z)-9-hexadecenoate [ACD/IUPAC Name]
3-(Palmitoyloxy)-2-(tetradecanoyloxy)propyl-(9Z)-9-hexadecenoat [German] [ACD/IUPAC Name]
9-Hexadecenoic acid, 3-[(1-oxohexadecyl)oxy]-2-[(1-oxotetradecyl)oxy]propyl ester, (9Z)- [ACD/Index Name]
(2R)-3-(hexadecanoyloxy)-2-(tetradecanoyloxy)propyl (9Z)-hexadec-9-enoate
1-Palmitoyl-2-myristoyl-3-palmitoleoyl-glycerol
TAG(16:0/14:0/16:1)
TAG(16:0/14:0/16:1n7)
TAG(16:0/14:0/16:1w7)
TAG(46:1)
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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

Density: 0.9±0.1 g/cm3
Boiling Point: 746.3±30.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 108.8±3.0 kJ/mol
Flash Point: 283.6±24.6 °C
Index of Refraction: 1.469
Molar Refractivity: 234.4±0.3 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 47
#Rule of 5 Violations: 2
ACD/LogP: 20.50
ACD/LogD (pH 5.5): 19.39
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 19.39
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 10000000.00
Polar Surface Area: 79 Å2
Polarizability: 92.9±0.5 10-24cm3
Surface Tension: 34.5±3.0 dyne/cm
Molar Volume: 841.8±3.0 cm3

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