ChemSpider 2D Image | 1-palmityl-2-acetyl-3-stearoyl-sn-glycerol | C39H76O5

1-palmityl-2-acetyl-3-stearoyl-sn-glycerol

  • Molecular FormulaC39H76O5
  • Average mass625.018 Da
  • Monoisotopic mass624.569275 Da
  • ChemSpider ID31150361

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

(2R)-2-Acetoxy-3-(hexadecyloxy)propyl stearate [ACD/IUPAC Name]
(2R)-2-Acetoxy-3-(hexadecyloxy)propylstearat [German] [ACD/IUPAC Name]
1-palmityl-2-acetyl-3-stearoyl-sn-glycerol
Octadecanoic acid, (2R)-2-(acetyloxy)-3-(hexadecyloxy)propyl ester [ACD/Index Name]
Stéarate de (2R)-2-acétoxy-3-(hexadécyloxy)propyle [French] [ACD/IUPAC Name]
(2R)-2-acetoxy-3-(hexadecyloxy)propyl octadecanoate
1-hexadecyl-2-acetyl-3-octadecanoyl-sn-glycerol
1-O-hexadecyl-2-acetyl-3-octadecanoyl-sn-glycerol

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

Density: 0.9±0.1 g/cm3
Boiling Point: 654.0±40.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 96.3±3.0 kJ/mol
Flash Point: 258.2±27.4 °C
Index of Refraction: 1.460
Molar Refractivity: 188.0±0.3 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 38
#Rule of 5 Violations: 2
ACD/LogP: 16.51
ACD/LogD (pH 5.5): 15.41
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 15.41
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 10000000.00
Polar Surface Area: 62 Å2
Polarizability: 74.5±0.5 10-24cm3
Surface Tension: 33.5±3.0 dyne/cm
Molar Volume: 686.0±3.0 cm3

Click to predict properties on the Chemicalize site


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