ChemSpider 2D Image | (2R)-1-Hydroxy-3-(palmitoyloxy)(~2~H_5_)-2-propanyl stearate | C37H67D5O5

(2R)-1-Hydroxy-3-(palmitoyloxy)(2H5)-2-propanyl stearate

  • Molecular FormulaC37H67D5O5
  • Average mass601.995 Da
  • Monoisotopic mass601.569336 Da
  • ChemSpider ID58782967

  • defined stereocentres - 1 of 1 defined stereocentres

    Non-standard isotope - Non-standard isotope

More details:

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

(2R)-1-Hydroxy-3-(palmitoyloxy)(2H5)-2-propanyl stearate [ACD/IUPAC Name]
(2R)-1-Hydroxy-3-(palmitoyloxy)(2H5)-2-propanylstearat [German] [ACD/IUPAC Name]
Octadecanoic acid, (1R)-2-hydroxy-1-[[(1-oxohexadecyl)oxy]methyl-d2]ethyl-1,2,2-d3 ester [ACD/Index Name]
Stéarate de (2R)-1-hydroxy-3-(palmitoyloxy)(2H5)-2-propanyle [French] [ACD/IUPAC Name]

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

Density: 0.9±0.1 g/cm3
Boiling Point: 641.8±22.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.3 mmHg at 25°C
Enthalpy of Vaporization: 108.5±6.0 kJ/mol
Flash Point: 178.3±15.8 °C
Index of Refraction: 1.466
Molar Refractivity: 178.5±0.3 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 36
#Rule of 5 Violations: 2
ACD/LogP: 15.40
ACD/LogD (pH 5.5): 14.40
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 14.40
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 10000000.00
Polar Surface Area: 73 Å2
Polarizability: 70.8±0.5 10-24cm3
Surface Tension: 35.1±3.0 dyne/cm
Molar Volume: 644.1±3.0 cm3

Click to predict properties on the Chemicalize site


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