ChemSpider 2D Image | Sorbitan, monodocosanoate | C28H54O6

Sorbitan, monodocosanoate

  • Molecular FormulaC28H54O6
  • Average mass486.725 Da
  • Monoisotopic mass486.392029 Da
  • ChemSpider ID18561125

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

1,4-Anhydro-5-O-docosanoyl-D-glucitol [German] [ACD/IUPAC Name]
1,4-Anhydro-5-O-docosanoyl-D-glucitol [ACD/IUPAC Name]
1,4-Anhydro-5-O-docosanoyl-D-glucitol [French] [ACD/IUPAC Name]
62568-11-0 [RN]
D-Glucitol, 1,4-anhydro-5-O-(1-oxodocosyl)- [ACD/Index Name]
Sorbitan, monodocosanoate
(R)-1-((2S,3R,4S)-3,4-Dihydroxytetrahydrofuran-2-yl)-2-hydroxyethyl docosanoate

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

Density: 1.0±0.0 g/cm3
Boiling Point: 619.9±0.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.0 mmHg at 25°C
Enthalpy of Vaporization: 105.3±0.0 kJ/mol
Flash Point: 191.0±0.0 °C
Index of Refraction: 1.493
Molar Refractivity: 137.7±0.0 cm3
#H bond acceptors: 6
#H bond donors: 3
#Freely Rotating Bonds: 27
#Rule of 5 Violations: 1
ACD/LogP: 8.48
ACD/LogD (pH 5.5): 8.48
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 977070.44
ACD/LogD (pH 7.4): 8.48
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 977069.31
Polar Surface Area: 96 Å2
Polarizability: 54.6±0.0 10-24cm3
Surface Tension: 42.8±0.0 dyne/cm
Molar Volume: 473.5±0.0 cm3

Click to predict properties on the Chemicalize site


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