ChemSpider 2D Image | 4-[1-(3,4-Dimethoxyphenyl)-3-(2-ethoxy-3-methoxyphenyl)-4-hydroxy-5-oxo-2,5-dihydro-1H-pyrrol-2-yl]-2-methoxyphenyl acetate | C30H31NO9

4-[1-(3,4-Dimethoxyphenyl)-3-(2-ethoxy-3-methoxyphenyl)-4-hydroxy-5-oxo-2,5-dihydro-1H-pyrrol-2-yl]-2-methoxyphenyl acetate

  • Molecular FormulaC30H31NO9
  • Average mass549.568 Da
  • Monoisotopic mass549.199890 Da
  • ChemSpider ID60235175

More details:

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

2H-Pyrrol-2-one, 5-[4-(acetyloxy)-3-methoxyphenyl]-1-(3,4-dimethoxyphenyl)-4-(2-ethoxy-3-methoxyphenyl)-1,5-dihydro-3-hydroxy- [ACD/Index Name]
4-[1-(3,4-Dimethoxyphenyl)-3-(2-ethoxy-3-methoxyphenyl)-4-hydroxy-5-oxo-2,5-dihydro-1H-pyrrol-2-yl]-2-methoxyphenyl acetate [ACD/IUPAC Name]
4-[1-(3,4-Dimethoxyphenyl)-3-(2-ethoxy-3-methoxyphenyl)-4-hydroxy-5-oxo-2,5-dihydro-1H-pyrrol-2-yl]-2-methoxyphenyl-acetat [German] [ACD/IUPAC Name]
Acétate de 4-[1-(3,4-diméthoxyphényl)-3-(2-éthoxy-3-méthoxyphényl)-4-hydroxy-5-oxo-2,5-dihydro-1H-pyrrol-2-yl]-2-méthoxyphényle [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: 675.5±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 104.2±3.0 kJ/mol
Flash Point: 362.3±31.5 °C
Index of Refraction: 1.596
Molar Refractivity: 146.0±0.3 cm3
#H bond acceptors: 10
#H bond donors: 1
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 2
ACD/LogP: 4.16
ACD/LogD (pH 5.5): 3.18
ACD/BCF (pH 5.5): 155.07
ACD/KOC (pH 5.5): 1286.85
ACD/LogD (pH 7.4): 3.17
ACD/BCF (pH 7.4): 150.20
ACD/KOC (pH 7.4): 1246.47
Polar Surface Area: 113 Å2
Polarizability: 57.9±0.5 10-24cm3
Surface Tension: 50.8±3.0 dyne/cm
Molar Volume: 429.2±3.0 cm3

Click to predict properties on the Chemicalize site


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