ChemSpider 2D Image | 7-Hydroxy-4-oxo-2-phenyl-4H-chromen-5-yl beta-D-glucopyranoside | C21H20O9

7-Hydroxy-4-oxo-2-phenyl-4H-chromen-5-yl β-D-glucopyranoside

  • Molecular FormulaC21H20O9
  • Average mass416.378 Da
  • Monoisotopic mass416.110718 Da
  • ChemSpider ID78317176

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

1329-10-8 [RN]
4H-1-Benzopyran-4-one, 5-(β-D-glucopyranosyloxy)-7-hydroxy-2-phenyl- [ACD/Index Name]
5-(β-D-Glucopyranosyloxy)-7-hydroxy-2-phenyl-4H-1-benzopyran-4-one
7-Hydroxy-4-oxo-2-phenyl-4H-chromen-5-yl β-D-glucopyranoside [ACD/IUPAC Name]
7-Hydroxy-4-oxo-2-phenyl-4H-chromen-5-yl-β-D-glucopyranosid [German] [ACD/IUPAC Name]
β-D-Glucopyranoside de 7-hydroxy-4-oxo-2-phényl-4H-chromén-5-yle [French] [ACD/IUPAC Name]
7-Hydroxy-2-phenyl-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one
Toringin

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

Density: 1.6±0.1 g/cm3
Boiling Point: 760.9±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.7 mmHg at 25°C
Enthalpy of Vaporization: 116.3±3.0 kJ/mol
Flash Point: 271.9±26.4 °C
Index of Refraction: 1.695
Molar Refractivity: 101.8±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): 0.06
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 24.39
ACD/LogD (pH 7.4): -0.92
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 2.56
Polar Surface Area: 146 Å2
Polarizability: 40.4±0.5 10-24cm3
Surface Tension: 82.8±3.0 dyne/cm
Molar Volume: 264.8±3.0 cm3

Click to predict properties on the Chemicalize site


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