ChemSpider 2D Image | 4-{2-[1-(beta-D-Glucopyranosyloxy)butoxy]ethyl}benzoic acid | C19H28O9

4-{2-[1-(β-D-Glucopyranosyloxy)butoxy]ethyl}benzoic acid

  • Molecular FormulaC19H28O9
  • Average mass400.420 Da
  • Monoisotopic mass400.173340 Da
  • ChemSpider ID26571307

  • defined stereocentres - 5 of 6 defined stereocentres

More details:

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

4-{2-[1-(β-D-Glucopyranosyloxy)butoxy]ethyl}benzoesäure [German] [ACD/IUPAC Name]
4-{2-[1-(β-D-Glucopyranosyloxy)butoxy]ethyl}benzoic acid [ACD/IUPAC Name]
Acide 4-{2-[1-(β-D-glucopyranosyloxy)butoxy]éthyl}benzoïque [French] [ACD/IUPAC Name]
Benzoic acid, 4-[2-[1-(β-D-glucopyranosyloxy)butoxy]ethyl]- [ACD/Index Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 612.1±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 95.5±3.0 kJ/mol
Flash Point: 213.8±25.0 °C
Index of Refraction: 1.591
Molar Refractivity: 97.8±0.4 cm3
#H bond acceptors: 9
#H bond donors: 5
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 1
ACD/LogP: 0.56
ACD/LogD (pH 5.5): -0.76
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 2.50
ACD/LogD (pH 7.4): -2.35
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 146 Å2
Polarizability: 38.8±0.5 10-24cm3
Surface Tension: 68.3±5.0 dyne/cm
Molar Volume: 289.5±5.0 cm3

Click to predict properties on the Chemicalize site


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