ChemSpider 2D Image | 4,7-Dihydroxy-3,8-dimethoxy-9-oxo-9H-xanthen-1-yl beta-D-glucopyranoside | C21H22O12

4,7-Dihydroxy-3,8-dimethoxy-9-oxo-9H-xanthen-1-yl β-D-glucopyranoside

  • Molecular FormulaC21H22O12
  • Average mass466.392 Da
  • Monoisotopic mass466.111115 Da
  • ChemSpider ID30819952

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

4,7-Dihydroxy-3,8-dimethoxy-9-oxo-9H-xanthen-1-yl β-D-glucopyranoside [ACD/IUPAC Name]
4,7-Dihydroxy-3,8-dimethoxy-9-oxo-9H-xanthen-1-yl-β-D-glucopyranosid [German] [ACD/IUPAC Name]
9H-Xanthen-9-one, 8-(β-D-glucopyranosyloxy)-2,5-dihydroxy-1,6-dimethoxy- [ACD/Index Name]
β-D-Glucopyranoside de 4,7-dihydroxy-3,8-diméthoxy-9-oxo-9H-xanthén-1-yle [French] [ACD/IUPAC Name]

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

Density: 1.6±0.1 g/cm3
Boiling Point: 820.6±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.1 mmHg at 25°C
Enthalpy of Vaporization: 125.0±3.0 kJ/mol
Flash Point: 288.5±27.8 °C
Index of Refraction: 1.684
Molar Refractivity: 108.4±0.3 cm3
#H bond acceptors: 12
#H bond donors: 6
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 2
ACD/LogP: -1.48
ACD/LogD (pH 5.5): -0.89
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 7.78
ACD/LogD (pH 7.4): -0.99
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 6.21
Polar Surface Area: 185 Å2
Polarizability: 43.0±0.5 10-24cm3
Surface Tension: 84.3±3.0 dyne/cm
Molar Volume: 285.6±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement