ChemSpider 2D Image | 5,7-Dihydroxy-2-(4-hydroxyphenyl)-3-methoxy-6-methyl-4-oxo-4H-chromen-8-yl beta-D-glucopyranoside | C23H24O12

5,7-Dihydroxy-2-(4-hydroxyphenyl)-3-methoxy-6-methyl-4-oxo-4H-chromen-8-yl β-D-glucopyranoside

  • Molecular FormulaC23H24O12
  • Average mass492.430 Da
  • Monoisotopic mass492.126770 Da
  • ChemSpider ID31146787

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

4H-1-Benzopyran-4-one, 8-(β-D-glucopyranosyloxy)-5,7-dihydroxy-2-(4-hydroxyphenyl)-3-methoxy-6-methyl- [ACD/Index Name]
5,7-Dihydroxy-2-(4-hydroxyphenyl)-3-methoxy-6-methyl-4-oxo-4H-chromen-8-yl β-D-glucopyranoside [ACD/IUPAC Name]
5,7-Dihydroxy-2-(4-hydroxyphenyl)-3-methoxy-6-methyl-4-oxo-4H-chromen-8-yl-β-D-glucopyranosid [German] [ACD/IUPAC Name]
β-D-Glucopyranoside de 5,7-dihydroxy-2-(4-hydroxyphényl)-3-méthoxy-6-méthyl-4-oxo-4H-chromén-8-yle [French] [ACD/IUPAC Name]

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

Density: 1.7±0.1 g/cm3
Boiling Point: 845.0±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.3 mmHg at 25°C
Enthalpy of Vaporization: 128.7±3.0 kJ/mol
Flash Point: 292.1±27.8 °C
Index of Refraction: 1.735
Molar Refractivity: 115.4±0.4 cm3
#H bond acceptors: 12
#H bond donors: 7
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 2
ACD/LogP: -0.71
ACD/LogD (pH 5.5): 0.08
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 23.06
ACD/LogD (pH 7.4): -1.40
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 196 Å2
Polarizability: 45.8±0.5 10-24cm3
Surface Tension: 106.5±5.0 dyne/cm
Molar Volume: 287.6±5.0 cm3

Click to predict properties on the Chemicalize site


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