ChemSpider 2D Image | 1-[(9Z)-9-Hexadecenoyloxy]-3-(pentadecanoyloxy)-2-propanyl (9Z)-9-octadecenoate | C52H96O6

1-[(9Z)-9-Hexadecenoyloxy]-3-(pentadecanoyloxy)-2-propanyl (9Z)-9-octadecenoate

  • Molecular FormulaC52H96O6
  • Average mass817.315 Da
  • Monoisotopic mass816.720703 Da
  • ChemSpider ID24768320

  • 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-[(9Z)-9-hexadecenoyloxy]-3-(pentadecanoyloxy)-2-propanyle [French] [ACD/IUPAC Name]
1-[(9Z)-9-Hexadecenoyloxy]-3-(pentadecanoyloxy)-2-propanyl (9Z)-9-octadecenoate [ACD/IUPAC Name]
1-[(9Z)-9-Hexadecenoyloxy]-3-(pentadecanoyloxy)-2-propanyl-(9Z)-9-octadecenoat [German] [ACD/IUPAC Name]
9-Octadecenoic acid, 2-[[(9Z)-1-oxo-9-hexadecen-1-yl]oxy]-1-[[(1-oxopentadecyl)oxy]methyl]ethyl ester, (9Z)- [ACD/Index Name]
(2R)-1-[(9Z)-hexadec-9-enoyloxy]-3-(pentadecanoyloxy)propan-2-yl (9Z)-octadec-9-enoate
1-Pentadecanoyl-2-oleoyl-3-palmitoleoyl-glycerol
TAG(15:0/18:1/16:1)
TAG(15:0/18:1n9/16:1n7)
TAG(15:0/18:1w9/16:1w7)
TAG(49:2)
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 0.9±0.1 g/cm3
Boiling Point: 775.6±40.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.7 mmHg at 25°C
Enthalpy of Vaporization: 112.9±3.0 kJ/mol
Flash Point: 291.8±27.4 °C
Index of Refraction: 1.473
Molar Refractivity: 248.4±0.3 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 49
#Rule of 5 Violations: 2
ACD/LogP: 21.57
ACD/LogD (pH 5.5): 20.02
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 20.02
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 10000000.00
Polar Surface Area: 79 Å2
Polarizability: 98.5±0.5 10-24cm3
Surface Tension: 34.6±3.0 dyne/cm
Molar Volume: 884.9±3.0 cm3

Click to predict properties on the Chemicalize site


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