ChemSpider 2D Image | 6-Hydroxy-3-oxo-1,3-dihydro-2-benzofuran-4-yl beta-D-glucopyranoside | C14H16O9

6-Hydroxy-3-oxo-1,3-dihydro-2-benzofuran-4-yl β-D-glucopyranoside

  • Molecular FormulaC14H16O9
  • Average mass328.271 Da
  • Monoisotopic mass328.079437 Da
  • ChemSpider ID30838799
  • defined stereocentres - 5 of 5 defined stereocentres


More details:






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

1(3H)-Isobenzofuranone, 7-(β-D-glucopyranosyloxy)-5-hydroxy- [ACD/Index Name]
6-Hydroxy-3-oxo-1,3-dihydro-2-benzofuran-4-yl β-D-glucopyranoside [ACD/IUPAC Name]
6-Hydroxy-3-oxo-1,3-dihydro-2-benzofuran-4-yl-β-D-glucopyranosid [German] [ACD/IUPAC Name]
β-D-Glucopyranoside de 6-hydroxy-3-oxo-1,3-dihydro-2-benzofuran-4-yle [French] [ACD/IUPAC Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.7±0.1 g/cm3
Boiling Point: 776.7±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.8 mmHg at 25°C
Enthalpy of Vaporization: 118.6±3.0 kJ/mol
Flash Point: 294.1±26.4 °C
Index of Refraction: 1.689
Molar Refractivity: 73.1±0.3 cm3
#H bond acceptors: 9
#H bond donors: 5
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 1
ACD/LogP: -2.05
ACD/LogD (pH 5.5): -0.99
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 6.88
ACD/LogD (pH 7.4): -1.26
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 3.69
Polar Surface Area: 146 Å2
Polarizability: 29.0±0.5 10-24cm3
Surface Tension: 96.8±3.0 dyne/cm
Molar Volume: 191.6±3.0 cm3

Click to predict properties on the Chemicalize site






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