ChemSpider 2D Image | 2-(beta-D-Glucopyranosyloxy)-1,3-propanediyl dioctadecanoate | C45H86O10

2-(β-D-Glucopyranosyloxy)-1,3-propanediyl dioctadecanoate

  • Molecular FormulaC45H86O10
  • Average mass787.158 Da
  • Monoisotopic mass786.622070 Da
  • ChemSpider ID9290554

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

2-(β-D-Glucopyranosyloxy)-1,3-propandiyl-dioctadecanoat [German] [ACD/IUPAC Name]
2-(β-D-Glucopyranosyloxy)-1,3-propanediyl dioctadecanoate [ACD/IUPAC Name]
Dioctadécanoate de 2-(β-D-glucopyranosyloxy)-1,3-propanediyle [French] [ACD/IUPAC Name]
Octadecanoic acid, 2-(β-D-glucopyranosyloxy)-1,3-propanediyl ester [ACD/Index Name]

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

Density: 1.0±0.1 g/cm3
Boiling Point: 826.5±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 136.7±6.0 kJ/mol
Flash Point: 226.7±27.8 °C
Index of Refraction: 1.502
Molar Refractivity: 221.6±0.4 cm3
#H bond acceptors: 10
#H bond donors: 4
#Freely Rotating Bonds: 41
#Rule of 5 Violations: 3
ACD/LogP: 14.90
ACD/LogD (pH 5.5): 13.68
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 13.68
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 10000000.00
Polar Surface Area: 152 Å2
Polarizability: 87.8±0.5 10-24cm3
Surface Tension: 45.6±5.0 dyne/cm
Molar Volume: 750.9±5.0 cm3

Click to predict properties on the Chemicalize site


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