ChemSpider 2D Image | 1-(Palmitoyloxy)-3-(pentadecanoyloxy)-2-propanyl (9Z)-9-octadecenoate | C52H98O6

1-(Palmitoyloxy)-3-(pentadecanoyloxy)-2-propanyl (9Z)-9-octadecenoate

  • Molecular FormulaC52H98O6
  • Average mass819.331 Da
  • Monoisotopic mass818.736328 Da
  • ChemSpider ID24768319

  • 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-Octadécénoate de 1-(palmitoyloxy)-3-(pentadecanoyloxy)-2-propanyle [French] [ACD/IUPAC Name]
1-(Palmitoyloxy)-3-(pentadecanoyloxy)-2-propanyl (9Z)-9-octadecenoate [ACD/IUPAC Name]
1-(Palmitoyloxy)-3-(pentadecanoyloxy)-2-propanyl-(9Z)-9-octadecenoat [German] [ACD/IUPAC Name]
9-Octadecenoic acid, 2-[(1-oxohexadecyl)oxy]-1-[[(1-oxopentadecyl)oxy]methyl]ethyl ester, (9Z)- [ACD/Index Name]
(2R)-1-(hexadecanoyloxy)-3-(pentadecanoyloxy)propan-2-yl (9Z)-octadec-9-enoate
1-Pentadecanoyl-2-oleoyl-3-palmitoyl-glycerol
TAG(15:0/18:1/16:0)
TAG(15:0/18:1n9/16:0)
TAG(15:0/18:1w9/16:0)
TAG(49:1)
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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, version: 14.00

Density: 0.9±0.1 g/cm3
Boiling Point: 773.7±30.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.7 mmHg at 25°C
Enthalpy of Vaporization: 112.6±3.0 kJ/mol
Flash Point: 290.7±24.6 °C
Index of Refraction: 1.469
Molar Refractivity: 248.3±0.3 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 50
#Rule of 5 Violations: 2
ACD/LogP: 22.09
ACD/LogD (pH 5.5): 21.03
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 21.03
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 10000000.00
Polar Surface Area: 79 Å2
Polarizability: 98.4±0.5 10-24cm3
Surface Tension: 34.5±3.0 dyne/cm
Molar Volume: 891.3±3.0 cm3

Click to predict properties on the Chemicalize site


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