ChemSpider 2D Image | 5-(5-Hydroxy-7-methoxy-4-oxo-4H-chromen-3-yl)-2,3-dimethoxyphenyl beta-D-glucopyranoside | C24H26O12

5-(5-Hydroxy-7-methoxy-4-oxo-4H-chromen-3-yl)-2,3-dimethoxyphenyl β-D-glucopyranoside

  • Molecular FormulaC24H26O12
  • Average mass506.456 Da
  • Monoisotopic mass506.142426 Da
  • ChemSpider ID8589290

  • 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, 3-[3-(β-D-glucopyranosyloxy)-4,5-dimethoxyphenyl]-5-hydroxy-7-methoxy- [ACD/Index Name]
5-(5-Hydroxy-7-methoxy-4-oxo-4H-chromen-3-yl)-2,3-dimethoxyphenyl β-D-glucopyranoside [ACD/IUPAC Name]
5-(5-Hydroxy-7-methoxy-4-oxo-4H-chromen-3-yl)-2,3-dimethoxyphenyl-β-D-glucopyranosid [German] [ACD/IUPAC Name]
β-D-Glucopyranoside de 5-(5-hydroxy-7-méthoxy-4-oxo-4H-chromén-3-yl)-2,3-diméthoxyphényle [French] [ACD/IUPAC Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 784.5±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.9 mmHg at 25°C
Enthalpy of Vaporization: 119.7±3.0 kJ/mol
Flash Point: 268.0±26.4 °C
Index of Refraction: 1.643
Molar Refractivity: 121.8±0.3 cm3
#H bond acceptors: 12
#H bond donors: 5
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 3
ACD/LogP: 0.65
ACD/LogD (pH 5.5): 0.41
ACD/BCF (pH 5.5): 1.15
ACD/KOC (pH 5.5): 36.49
ACD/LogD (pH 7.4): -0.74
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 2.61
Polar Surface Area: 174 Å2
Polarizability: 48.3±0.5 10-24cm3
Surface Tension: 70.1±3.0 dyne/cm
Molar Volume: 336.8±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement