ChemSpider 2D Image | 3-[6-(beta-D-Glucopyranosyloxy)-2-(2-hydroxy-2-propanyl)-2,3-dihydro-1-benzofuran-5-yl]propanoic acid | C20H28O10

3-[6-(β-D-Glucopyranosyloxy)-2-(2-hydroxy-2-propanyl)-2,3-dihydro-1-benzofuran-5-yl]propanoic acid

  • Molecular FormulaC20H28O10
  • Average mass428.430 Da
  • Monoisotopic mass428.168243 Da
  • ChemSpider ID23550776

  • defined stereocentres - 5 of 6 defined stereocentres

More details:

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

3-[6-(β-D-Glucopyranosyloxy)-2-(2-hydroxy-2-propanyl)-2,3-dihydro-1-benzofuran-5-yl]propanoic acid [ACD/IUPAC Name]
3-[6-(β-D-Glucopyranosyloxy)-2-(2-hydroxy-2-propanyl)-2,3-dihydro-1-benzofuran-5-yl]propansäure [German] [ACD/IUPAC Name]
5-Benzofuranpropanoic acid, 6-(β-D-glucopyranosyloxy)-2,3-dihydro-2-(1-hydroxy-1-methylethyl)- [ACD/Index Name]
Acide 3-[6-(β-D-glucopyranosyloxy)-2-(2-hydroxy-2-propanyl)-2,3-dihydro-1-benzofuran-5-yl]propanoïque [French] [ACD/IUPAC Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 688.8±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 106.0±3.0 kJ/mol
Flash Point: 241.2±25.0 °C
Index of Refraction: 1.627
Molar Refractivity: 102.0±0.3 cm3
#H bond acceptors: 10
#H bond donors: 6
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 2
ACD/LogP: -0.99
ACD/LogD (pH 5.5): -1.36
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.47
ACD/LogD (pH 7.4): -3.16
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 166 Å2
Polarizability: 40.4±0.5 10-24cm3
Surface Tension: 77.0±3.0 dyne/cm
Molar Volume: 287.8±3.0 cm3

Click to predict properties on the Chemicalize site


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