ChemSpider 2D Image | 2,3-Bis(palmitoyloxy)propyl (9E)-9-hexadecenoate | C51H96O6

2,3-Bis(palmitoyloxy)propyl (9E)-9-hexadecenoate

  • Molecular FormulaC51H96O6
  • Average mass805.304 Da
  • Monoisotopic mass804.720703 Da
  • ChemSpider ID59697056

  • 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

(9E)-9-Hexadécénoate de 2,3-bis(palmitoyloxy)propyle [French] [ACD/IUPAC Name]
2,3-Bis(palmitoyloxy)propyl (9E)-9-hexadecenoate [ACD/IUPAC Name]
2,3-Bis(palmitoyloxy)propyl-(9E)-9-hexadecenoat [German] [ACD/IUPAC Name]
9-Hexadecenoic acid, 2,3-bis[(1-oxohexadecyl)oxy]propyl ester, (9E)- [ACD/Index Name]
(2R)-2,3-bis(hexadecanoyloxy)propyl hexadec-9-enoate
TG(16:0/16:0/16:1(9Z))[iso3]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 0.9±0.1 g/cm3
Boiling Point: 764.6±30.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.6 mmHg at 25°C
Enthalpy of Vaporization: 111.4±3.0 kJ/mol
Flash Point: 288.4±24.6 °C
Index of Refraction: 1.469
Molar Refractivity: 243.7±0.3 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 49
#Rule of 5 Violations: 2
ACD/LogP: 21.56
ACD/LogD (pH 5.5): 20.31
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 20.31
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: 34.5±3.0 dyne/cm
Molar Volume: 874.8±3.0 cm3

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