ChemSpider 2D Image | Methyl 3-(6-{[6,7-dimethoxy-1-(3,4,5-trimethoxyphenyl)-3,4-dihydro-2(1H)-isoquinolinyl]methyl}-3-hydroxy-4-oxo-4H-pyran-2-yl)-3-(3-hydroxyphenyl)propanoate | C36H39NO11

Methyl 3-(6-{[6,7-dimethoxy-1-(3,4,5-trimethoxyphenyl)-3,4-dihydro-2(1H)-isoquinolinyl]methyl}-3-hydroxy-4-oxo-4H-pyran-2-yl)-3-(3-hydroxyphenyl)propanoate

  • Molecular FormulaC36H39NO11
  • Average mass661.695 Da
  • Monoisotopic mass661.252319 Da
  • ChemSpider ID35146182

More details:

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

3-(6-{[6,7-Diméthoxy-1-(3,4,5-triméthoxyphényl)-3,4-dihydro-2(1H)-isoquinoléinyl]méthyl}-3-hydroxy-4-oxo-4H-pyran-2-yl)-3-(3-hydroxyphényl)propanoate de méthyle [French] [ACD/IUPAC Name]
4H-Pyran-2-propanoic acid, 6-[[3,4-dihydro-6,7-dimethoxy-1-(3,4,5-trimethoxyphenyl)-2(1H)-isoquinolinyl]methyl]-3-hydroxy-β-(3-hydroxyphenyl)-4-oxo-, methyl ester [ACD/Index Name]
Methyl 3-(6-{[6,7-dimethoxy-1-(3,4,5-trimethoxyphenyl)-3,4-dihydro-2(1H)-isoquinolinyl]methyl}-3-hydroxy-4-oxo-4H-pyran-2-yl)-3-(3-hydroxyphenyl)propanoate [ACD/IUPAC Name]
Methyl-3-(6-{[6,7-dimethoxy-1-(3,4,5-trimethoxyphenyl)-3,4-dihydro-2(1H)-isochinolinyl]methyl}-3-hydroxy-4-oxo-4H-pyran-2-yl)-3-(3-hydroxyphenyl)propanoat [German] [ACD/IUPAC Name]
methyl 3-(6-((6,7-dimethoxy-1-(3,4,5-trimethoxyphenyl)-3,4-dihydroisoquinolin-2(1H)-yl)methyl)-3-hydroxy-4-oxo-4H-pyran-2-yl)-3-(3-hydroxyphenyl)propanoate

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

Density: 1.3±0.1 g/cm3
Boiling Point: 799.6±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.0 mmHg at 25°C
Enthalpy of Vaporization: 121.9±3.0 kJ/mol
Flash Point: 437.4±32.9 °C
Index of Refraction: 1.606
Molar Refractivity: 174.8±0.3 cm3
#H bond acceptors: 12
#H bond donors: 2
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 2
ACD/LogP: 4.42
ACD/LogD (pH 5.5): 2.98
ACD/BCF (pH 5.5): 79.49
ACD/KOC (pH 5.5): 548.79
ACD/LogD (pH 7.4): 3.35
ACD/BCF (pH 7.4): 184.62
ACD/KOC (pH 7.4): 1274.65
Polar Surface Area: 142 Å2
Polarizability: 69.3±0.5 10-24cm3
Surface Tension: 53.9±3.0 dyne/cm
Molar Volume: 507.2±3.0 cm3

Click to predict properties on the Chemicalize site


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