ChemSpider 2D Image | 3,5-Dihydroxy-2-{3-hydroxy-4-[(7-hydroxy-3,7-dimethyloctyl)oxy]phenyl}-6,7-dimethoxy-4H-chromen-4-one | C27H34O9

3,5-Dihydroxy-2-{3-hydroxy-4-[(7-hydroxy-3,7-dimethyloctyl)oxy]phenyl}-6,7-dimethoxy-4H-chromen-4-one

  • Molecular FormulaC27H34O9
  • Average mass502.553 Da
  • Monoisotopic mass502.220276 Da
  • ChemSpider ID8776911

More details:

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

3,5-Dihydroxy-2-{3-hydroxy-4-[(7-hydroxy-3,7-dimethyloctyl)oxy]phenyl}-6,7-dimethoxy-4H-chromen-4-on [German] [ACD/IUPAC Name]
3,5-Dihydroxy-2-{3-hydroxy-4-[(7-hydroxy-3,7-dimethyloctyl)oxy]phenyl}-6,7-dimethoxy-4H-chromen-4-one [ACD/IUPAC Name]
3,5-Dihydroxy-2-{3-hydroxy-4-[(7-hydroxy-3,7-diméthyloctyl)oxy]phényl}-6,7-diméthoxy-4H-chromén-4-one [French] [ACD/IUPAC Name]
4H-1-Benzopyran-4-one, 3,5-dihydroxy-2-[3-hydroxy-4-[(7-hydroxy-3,7-dimethyloctyl)oxy]phenyl]-6,7-dimethoxy- [ACD/Index Name]
Geranioloxyalatum flavone

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

Density: 1.3±0.1 g/cm3
Boiling Point: 703.6±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 108.1±3.0 kJ/mol
Flash Point: 231.7±26.4 °C
Index of Refraction: 1.597
Molar Refractivity: 132.7±0.3 cm3
#H bond acceptors: 9
#H bond donors: 4
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 1
ACD/LogP: 4.76
ACD/LogD (pH 5.5): 4.01
ACD/BCF (pH 5.5): 626.23
ACD/KOC (pH 5.5): 3329.14
ACD/LogD (pH 7.4): 2.87
ACD/BCF (pH 7.4): 45.49
ACD/KOC (pH 7.4): 241.82
Polar Surface Area: 135 Å2
Polarizability: 52.6±0.5 10-24cm3
Surface Tension: 56.3±3.0 dyne/cm
Molar Volume: 389.6±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement