ChemSpider 2D Image | 3-(4,7-Dimethoxy-1,3-benzodioxol-5-yl)-3-(4-hydroxy-6-methyl-2-oxo-2H-pyran-3-yl)-N-[2-(4-hydroxyphenyl)ethyl]propanamide | C26H27NO9

3-(4,7-Dimethoxy-1,3-benzodioxol-5-yl)-3-(4-hydroxy-6-methyl-2-oxo-2H-pyran-3-yl)-N-[2-(4-hydroxyphenyl)ethyl]propanamide

  • Molecular FormulaC26H27NO9
  • Average mass497.494 Da
  • Monoisotopic mass497.168579 Da
  • ChemSpider ID35331724

More details:

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

1,3-Benzodioxole-5-propanamide, β-(4-hydroxy-6-methyl-2-oxo-2H-pyran-3-yl)-N-[2-(4-hydroxyphenyl)ethyl]-4,7-dimethoxy- [ACD/Index Name]
3-(4,7-Dimethoxy-1,3-benzodioxol-5-yl)-3-(4-hydroxy-6-methyl-2-oxo-2H-pyran-3-yl)-N-[2-(4-hydroxyphenyl)ethyl]propanamid [German] [ACD/IUPAC Name]
3-(4,7-Dimethoxy-1,3-benzodioxol-5-yl)-3-(4-hydroxy-6-methyl-2-oxo-2H-pyran-3-yl)-N-[2-(4-hydroxyphenyl)ethyl]propanamide [ACD/IUPAC Name]
3-(4,7-Diméthoxy-1,3-benzodioxol-5-yl)-3-(4-hydroxy-6-méthyl-2-oxo-2H-pyran-3-yl)-N-[2-(4-hydroxyphényl)éthyl]propanamide [French] [ACD/IUPAC 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: 780.6±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.8 mmHg at 25°C
Enthalpy of Vaporization: 119.1±3.0 kJ/mol
Flash Point: 425.9±32.9 °C
Index of Refraction: 1.625
Molar Refractivity: 127.5±0.3 cm3
#H bond acceptors: 10
#H bond donors: 3
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 1
ACD/LogP: 3.02
ACD/LogD (pH 5.5): 1.70
ACD/BCF (pH 5.5): 8.15
ACD/KOC (pH 5.5): 103.62
ACD/LogD (pH 7.4): -0.05
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.83
Polar Surface Area: 133 Å2
Polarizability: 50.5±0.5 10-24cm3
Surface Tension: 60.6±3.0 dyne/cm
Molar Volume: 360.9±3.0 cm3

Click to predict properties on the Chemicalize site


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