ChemSpider 2D Image | 3-(4-Hydroxy-6-methyl-2-oxo-2H-pyran-3-yl)-3-(7-methoxy-1,3-benzodioxol-5-yl)-N-[2-(4-methoxyphenyl)ethyl]propanamide | C26H27NO8

3-(4-Hydroxy-6-methyl-2-oxo-2H-pyran-3-yl)-3-(7-methoxy-1,3-benzodioxol-5-yl)-N-[2-(4-methoxyphenyl)ethyl]propanamide

  • Molecular FormulaC26H27NO8
  • Average mass481.495 Da
  • Monoisotopic mass481.173676 Da
  • ChemSpider ID35331771

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)-7-methoxy-N-[2-(4-methoxyphenyl)ethyl]- [ACD/Index Name]
3-(4-Hydroxy-6-methyl-2-oxo-2H-pyran-3-yl)-3-(7-methoxy-1,3-benzodioxol-5-yl)-N-[2-(4-methoxyphenyl)ethyl]propanamid [German] [ACD/IUPAC Name]
3-(4-Hydroxy-6-methyl-2-oxo-2H-pyran-3-yl)-3-(7-methoxy-1,3-benzodioxol-5-yl)-N-[2-(4-methoxyphenyl)ethyl]propanamide [ACD/IUPAC Name]
3-(4-Hydroxy-6-méthyl-2-oxo-2H-pyran-3-yl)-3-(7-méthoxy-1,3-benzodioxol-5-yl)-N-[2-(4-méthoxyphényl)éthyl]propanamide [French] [ACD/IUPAC Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 726.5±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 111.3±3.0 kJ/mol
Flash Point: 393.2±32.9 °C
Index of Refraction: 1.610
Molar Refractivity: 125.6±0.3 cm3
#H bond acceptors: 9
#H bond donors: 2
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 0
ACD/LogP: 3.45
ACD/LogD (pH 5.5): 2.23
ACD/BCF (pH 5.5): 21.55
ACD/KOC (pH 5.5): 217.47
ACD/LogD (pH 7.4): 0.50
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 4.01
Polar Surface Area: 113 Å2
Polarizability: 49.8±0.5 10-24cm3
Surface Tension: 56.0±3.0 dyne/cm
Molar Volume: 362.4±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement