ChemSpider 2D Image | 3-(4,7-Dimethoxy-1,3-benzodioxol-5-yl)-3-(4-hydroxy-6-methyl-2-oxo-2H-pyran-3-yl)-N-(3,4,5-trimethoxyphenyl)propanamide | C27H29NO11

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

  • Molecular FormulaC27H29NO11
  • Average mass543.519 Da
  • Monoisotopic mass543.174072 Da
  • ChemSpider ID35331538

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)-4,7-dimethoxy-N-(3,4,5-trimethoxyphenyl)- [ACD/Index Name]
3-(4,7-Dimethoxy-1,3-benzodioxol-5-yl)-3-(4-hydroxy-6-methyl-2-oxo-2H-pyran-3-yl)-N-(3,4,5-trimethoxyphenyl)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-(3,4,5-trimethoxyphenyl)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-(3,4,5-triméthoxyphényl)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: 749.2±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.6 mmHg at 25°C
Enthalpy of Vaporization: 114.6±3.0 kJ/mol
Flash Point: 406.9±32.9 °C
Index of Refraction: 1.612
Molar Refractivity: 137.5±0.3 cm3
#H bond acceptors: 12
#H bond donors: 2
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 2
ACD/LogP: 3.82
ACD/LogD (pH 5.5): 1.96
ACD/BCF (pH 5.5): 12.66
ACD/KOC (pH 5.5): 140.74
ACD/LogD (pH 7.4): 0.20
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 2.48
Polar Surface Area: 140 Å2
Polarizability: 54.5±0.5 10-24cm3
Surface Tension: 57.0±3.0 dyne/cm
Molar Volume: 395.8±3.0 cm3

Click to predict properties on the Chemicalize site


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