ChemSpider 2D Image | 4-[1-(4-Hydroxyphenyl)-3-oxo-1,3-dihydro-2-benzofuran-1-yl]phenyl beta-D-glucopyranosiduronate | C26H21O10

4-[1-(4-Hydroxyphenyl)-3-oxo-1,3-dihydro-2-benzofuran-1-yl]phenyl β-D-glucopyranosiduronate

  • Molecular FormulaC26H21O10
  • Average mass493.440 Da
  • Monoisotopic mass493.114014 Da
  • ChemSpider ID21258617

  • Charge - Charge

    defined stereocentres - 5 of 6 defined stereocentres

More details:

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

1(3H)-Isobenzofuranone, 3-[4-(β-D-glucopyranuronosyloxy)phenyl]-3-(4-hydroxyphenyl)-, ion(1-) [ACD/Index Name]
4-[1-(4-Hydroxyphenyl)-3-oxo-1,3-dihydro-2-benzofuran-1-yl]phenyl β-D-glucopyranosiduronate [ACD/IUPAC Name]
4-[1-(4-Hydroxyphenyl)-3-oxo-1,3-dihydro-2-benzofuran-1-yl]phenyl-β-D-glucopyranosiduronat [German] [ACD/IUPAC Name]

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

Density:
Boiling Point: 804.5±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.0 mmHg at 25°C
Enthalpy of Vaporization: 122.6±3.0 kJ/mol
Flash Point: 276.5±27.8 °C
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 10
#H bond donors: 5
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 2
ACD/LogP: 0.32
ACD/LogD (pH 5.5): -1.96
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -2.82
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 166 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site


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