ChemSpider 2D Image | 4-(7-Hydroxy-4-oxo-3,4-dihydro-2H-chromen-2-yl)phenyl beta-D-glucopyranoside | C21H22O9

4-(7-Hydroxy-4-oxo-3,4-dihydro-2H-chromen-2-yl)phenyl β-D-glucopyranoside

  • Molecular FormulaC21H22O9
  • Average mass418.394 Da
  • Monoisotopic mass418.126373 Da
  • ChemSpider ID24846220

  • defined stereocentres - 5 of 6 defined stereocentres

More details:

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

4-(7-Hydroxy-4-oxo-3,4-dihydro-2H-chromen-2-yl)phenyl β-D-glucopyranoside [ACD/IUPAC Name]
4-(7-Hydroxy-4-oxo-3,4-dihydro-2H-chromen-2-yl)phenyl-β-D-glucopyranosid [German] [ACD/IUPAC Name]
4H-1-Benzopyran-4-one, 2-[4-(β-D-glucopyranosyloxy)phenyl]-2,3-dihydro-7-hydroxy- [ACD/Index Name]
β-D-Glucopyranoside de 4-(7-hydroxy-4-oxo-3,4-dihydro-2H-chromén-2-yl)phényle [French] [ACD/IUPAC Name]
CID 11972398
Liquiritin [Wiki]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 746.8±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.6 mmHg at 25°C
Enthalpy of Vaporization: 114.2±3.0 kJ/mol
Flash Point: 265.9±26.4 °C
Index of Refraction: 1.670
Molar Refractivity: 102.2±0.3 cm3
#H bond acceptors: 9
#H bond donors: 5
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 1
ACD/LogP: 0.61
ACD/LogD (pH 5.5): 0.46
ACD/BCF (pH 5.5): 1.33
ACD/KOC (pH 5.5): 42.49
ACD/LogD (pH 7.4): 0.29
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 28.40
Polar Surface Area: 146 Å2
Polarizability: 40.5±0.5 10-24cm3
Surface Tension: 78.0±3.0 dyne/cm
Molar Volume: 273.5±3.0 cm3

Click to predict properties on the Chemicalize site


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