ChemSpider 2D Image | Methyl 2-phenylethyl 2,3,4-tris-O-(2,2-dimethylpropanoyl)-alpha-D-glucopyranosiduronate | C30H44O10

Methyl 2-phenylethyl 2,3,4-tris-O-(2,2-dimethylpropanoyl)-α-D-glucopyranosiduronate

  • Molecular FormulaC30H44O10
  • Average mass564.664 Da
  • Monoisotopic mass564.293457 Da
  • ChemSpider ID9573815

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

Methyl 2-phenylethyl 2,3,4-tris-O-(2,2-dimethylpropanoyl)-α-D-glucopyranosiduronate [ACD/IUPAC Name]
Methyl-2-phenylethyl-2,3,4-tris-O-(2,2-dimethylpropanoyl)-α-D-glucopyranosiduronat [German] [ACD/IUPAC Name]
α-D-Glucopyranosiduronic acid, 2-phenylethyl, methyl ester, tris(2,2-dimethylpropanoate) [ACD/Index Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 569.5±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 85.4±3.0 kJ/mol
Flash Point: 234.5±30.2 °C
Index of Refraction: 1.511
Molar Refractivity: 146.7±0.4 cm3
#H bond acceptors: 10
#H bond donors: 0
#Freely Rotating Bonds: 15
#Rule of 5 Violations: 3
ACD/LogP: 7.33
ACD/LogD (pH 5.5): 6.35
ACD/BCF (pH 5.5): 39605.54
ACD/KOC (pH 5.5): 68023.17
ACD/LogD (pH 7.4): 6.35
ACD/BCF (pH 7.4): 39605.54
ACD/KOC (pH 7.4): 68023.17
Polar Surface Area: 124 Å2
Polarizability: 58.1±0.5 10-24cm3
Surface Tension: 43.4±5.0 dyne/cm
Molar Volume: 489.7±5.0 cm3

Click to predict properties on the Chemicalize site


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