ChemSpider 2D Image | 4-{5-[7-(alpha-D-Glucopyranosyloxy)-3-hydroxy-5,6-dimethoxy-4-oxo-4H-chromen-2-yl]-2-hydroxyphenyl}-2-methylbutyl acetate | C30H36O14

4-{5-[7-(α-D-Glucopyranosyloxy)-3-hydroxy-5,6-dimethoxy-4-oxo-4H-chromen-2-yl]-2-hydroxyphenyl}-2-methylbutyl acetate

  • Molecular FormulaC30H36O14
  • Average mass620.598 Da
  • Monoisotopic mass620.210510 Da
  • ChemSpider ID9344616

  • defined stereocentres - 5 of 6 defined stereocentres

More details:

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

4-{5-[7-(α-D-Glucopyranosyloxy)-3-hydroxy-5,6-dimethoxy-4-oxo-4H-chromen-2-yl]-2-hydroxyphenyl}-2-methylbutyl acetate [ACD/IUPAC Name]
4-{5-[7-(α-D-Glucopyranosyloxy)-3-hydroxy-5,6-dimethoxy-4-oxo-4H-chromen-2-yl]-2-hydroxyphenyl}-2-methylbutyl-acetat [German] [ACD/IUPAC Name]
4H-1-Benzopyran-4-one, 2-[3-[4-(acetyloxy)-3-methylbutyl]-4-hydroxyphenyl]-7-(α-D-glucopyranosyloxy)-3-hydroxy-5,6-dimethoxy- [ACD/Index Name]
Acétate de 4-{5-[7-(α-D-glucopyranosyloxy)-3-hydroxy-5,6-diméthoxy-4-oxo-4H-chromén-2-yl]-2-hydroxyphényl}-2-méthylbutyle [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: 859.8±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 130.9±3.0 kJ/mol
Flash Point: 277.3±27.8 °C
Index of Refraction: 1.626
Molar Refractivity: 151.2±0.3 cm3
#H bond acceptors: 14
#H bond donors: 6
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 3
ACD/LogP: 1.16
ACD/LogD (pH 5.5): 0.80
ACD/BCF (pH 5.5): 2.38
ACD/KOC (pH 5.5): 64.58
ACD/LogD (pH 7.4): 0.69
ACD/BCF (pH 7.4): 1.85
ACD/KOC (pH 7.4): 50.20
Polar Surface Area: 211 Å2
Polarizability: 59.9±0.5 10-24cm3
Surface Tension: 69.2±3.0 dyne/cm
Molar Volume: 427.0±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement