ChemSpider 2D Image | 5-(5,6-Dihydroxy-3,7-dimethoxy-4-oxo-4H-chromen-2-yl)-2-methoxyphenyl beta-D-glucopyranoside | C24H26O13

5-(5,6-Dihydroxy-3,7-dimethoxy-4-oxo-4H-chromen-2-yl)-2-methoxyphenyl β-D-glucopyranoside

  • Molecular FormulaC24H26O13
  • Average mass522.455 Da
  • Monoisotopic mass522.137329 Da
  • ChemSpider ID58829948

  • 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, 2-[3-(β-D-glucopyranosyloxy)-4-methoxyphenyl]-5,6-dihydroxy-3,7-dimethoxy- [ACD/Index Name]
5-(5,6-Dihydroxy-3,7-dimethoxy-4-oxo-4H-chromen-2-yl)-2-methoxyphenyl β-D-glucopyranoside [ACD/IUPAC Name]
5-(5,6-Dihydroxy-3,7-dimethoxy-4-oxo-4H-chromen-2-yl)-2-methoxyphenyl-β-D-glucopyranosid [German] [ACD/IUPAC Name]
β-D-Glucopyranoside de 5-(5,6-dihydroxy-3,7-diméthoxy-4-oxo-4H-chromén-2-yl)-2-méthoxyphényle [French] [ACD/IUPAC Name]
-D-glucoside
3,7,4'-trimethylquercetagetin 3'-<i>O</i>-&amp;β;-<i>D</i>-glucoside
Oxyayanin B 3'-glucoside

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

Density: 1.6±0.1 g/cm3
Boiling Point: 833.8±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.2 mmHg at 25°C
Enthalpy of Vaporization: 127.0±3.0 kJ/mol
Flash Point: 284.2±27.8 °C
Index of Refraction: 1.692
Molar Refractivity: 122.0±0.4 cm3
#H bond acceptors: 13
#H bond donors: 6
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 3
ACD/LogP: -1.02
ACD/LogD (pH 5.5): -0.48
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 11.32
ACD/LogD (pH 7.4): -1.81
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 194 Å2
Polarizability: 48.4±0.5 10-24cm3
Surface Tension: 92.6±5.0 dyne/cm
Molar Volume: 318.4±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement