ChemSpider 2D Image | 1,3-Bis(palmitoyloxy)(~2~H_5_)-2-propanyl stearate | C53H97D5O6

1,3-Bis(palmitoyloxy)(2H5)-2-propanyl stearate

  • Molecular FormulaC53H97D5O6
  • Average mass840.404 Da
  • Monoisotopic mass839.799011 Da
  • ChemSpider ID2497486

  • Non-standard isotope - Non-standard isotope

More details:

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

1,3-Bis(palmitoyloxy)(2H5)-2-propanyl stearate [ACD/IUPAC Name]
1,3-Bis(palmitoyloxy)(2H5)-2-propanylstearat [German] [ACD/IUPAC Name]
Octadecanoic acid, 2-[(1-oxohexadecyl)oxy]-1-[[(1-oxohexadecyl)oxy]methyl-d2]ethyl-1,2,2-d3 ester [ACD/Index Name]
Stéarate de 1,3-bis(palmitoyloxy)(2H5)-2-propanyle [French] [ACD/IUPAC Name]
1,3-dihexadecanoyl-2-octadecanoyl-glycerol (d5)
1,3-dihexadecanoyl-2-octadecanoyl-sn-glycerol (d5)
1,3-dihexadecanoyl-2-octadecanoyl-sn-glycerol-d5
16:0-18:0-16:0 D5 TG
944709-25-5 [RN]
TG(16:0/18:0/16:0) (d5)
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

LMGL03010011 [DBID]

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

Density: 0.9±0.1 g/cm3
Boiling Point: 777.9±27.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.7 mmHg at 25°C
Enthalpy of Vaporization: 113.2±3.0 kJ/mol
Flash Point: 290.7±23.8 °C
Index of Refraction: 1.465
Molar Refractivity: 252.9±0.3 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 52
#Rule of 5 Violations: 2
ACD/LogP: 23.14
ACD/LogD (pH 5.5): 21.96
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 21.96
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 10000000.00
Polar Surface Area: 79 Å2
Polarizability: 100.2±0.5 10-24cm3
Surface Tension: 34.3±3.0 dyne/cm
Molar Volume: 914.2±3.0 cm3

Click to predict properties on the Chemicalize site


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