ChemSpider 2D Image | 3,5,7-Trihydroxy-2-{2-(hydroxymethyl)-3-[3-methoxy-4-(pentyloxy)phenyl]-2,3-dihydro-1,4-benzodioxin-6-yl}-4H-chromen-4-one | C30H30O10

3,5,7-Trihydroxy-2-{2-(hydroxymethyl)-3-[3-methoxy-4-(pentyloxy)phenyl]-2,3-dihydro-1,4-benzodioxin-6-yl}-4H-chromen-4-one

  • Molecular FormulaC30H30O10
  • Average mass550.553 Da
  • Monoisotopic mass550.183899 Da
  • ChemSpider ID76748277

More details:

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

3,5,7-Trihydroxy-2-{2-(hydroxymethyl)-3-[3-methoxy-4-(pentyloxy)phenyl]-2,3-dihydro-1,4-benzodioxin-6-yl}-4H-chromen-4-on [German] [ACD/IUPAC Name]
3,5,7-Trihydroxy-2-{2-(hydroxymethyl)-3-[3-methoxy-4-(pentyloxy)phenyl]-2,3-dihydro-1,4-benzodioxin-6-yl}-4H-chromen-4-one [ACD/IUPAC Name]
3,5,7-Trihydroxy-2-{2-(hydroxyméthyl)-3-[3-méthoxy-4-(pentyloxy)phényl]-2,3-dihydro-1,4-benzodioxin-6-yl}-4H-chromén-4-one [French] [ACD/IUPAC Name]
4H-1-Benzopyran-4-one, 2-[2,3-dihydro-2-(hydroxymethyl)-3-[3-methoxy-4-(pentyloxy)phenyl]-1,4-benzodioxin-6-yl]-3,5,7-trihydroxy- [ACD/Index Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 751.8±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.6 mmHg at 25°C
Enthalpy of Vaporization: 115.0±3.0 kJ/mol
Flash Point: 246.8±26.4 °C
Index of Refraction: 1.640
Molar Refractivity: 142.9±0.3 cm3
#H bond acceptors: 10
#H bond donors: 4
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 3
ACD/LogP: 5.15
ACD/LogD (pH 5.5): 4.59
ACD/BCF (pH 5.5): 1729.16
ACD/KOC (pH 5.5): 6890.37
ACD/LogD (pH 7.4): 3.32
ACD/BCF (pH 7.4): 92.62
ACD/KOC (pH 7.4): 369.08
Polar Surface Area: 144 Å2
Polarizability: 56.6±0.5 10-24cm3
Surface Tension: 61.6±3.0 dyne/cm
Molar Volume: 396.8±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement