ChemSpider 2D Image | 3-(4-Hydroxy-6-methyl-2-oxo-2H-pyran-3-yl)-3-(7-methoxy-1,3-benzodioxol-5-yl)-N-(3,4,5-trimethoxyphenyl)propanamide | C26H27NO10

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

  • Molecular FormulaC26H27NO10
  • Average mass513.493 Da
  • Monoisotopic mass513.163513 Da
  • ChemSpider ID35331587

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-(3,4,5-trimethoxyphenyl)- [ACD/Index Name]
3-(4-Hydroxy-6-methyl-2-oxo-2H-pyran-3-yl)-3-(7-methoxy-1,3-benzodioxol-5-yl)-N-(3,4,5-trimethoxyphenyl)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-(3,4,5-trimethoxyphenyl)propanamide [ACD/IUPAC Name]
3-(4-Hydroxy-6-méthyl-2-oxo-2H-pyran-3-yl)-3-(7-méthoxy-1,3-benzodioxol-5-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: 719.9±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 110.4±3.0 kJ/mol
Flash Point: 389.2±32.9 °C
Index of Refraction: 1.621
Molar Refractivity: 130.8±0.3 cm3
#H bond acceptors: 11
#H bond donors: 2
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: 3.61
ACD/LogD (pH 5.5): 2.00
ACD/BCF (pH 5.5): 14.17
ACD/KOC (pH 5.5): 159.81
ACD/LogD (pH 7.4): 0.26
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 2.92
Polar Surface Area: 131 Å2
Polarizability: 51.9±0.5 10-24cm3
Surface Tension: 58.6±3.0 dyne/cm
Molar Volume: 371.8±3.0 cm3

Click to predict properties on the Chemicalize site


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