ChemSpider 2D Image | 4-(3,4-Dimethoxybenzoyl)-3-hydroxy-5-(7-methoxy-1,3-benzodioxol-5-yl)-1-(tetrahydro-2-furanylmethyl)-1,5-dihydro-2H-pyrrol-2-one | C26H27NO9

4-(3,4-Dimethoxybenzoyl)-3-hydroxy-5-(7-methoxy-1,3-benzodioxol-5-yl)-1-(tetrahydro-2-furanylmethyl)-1,5-dihydro-2H-pyrrol-2-one

  • Molecular FormulaC26H27NO9
  • Average mass497.494 Da
  • Monoisotopic mass497.168579 Da
  • ChemSpider ID32079232

More details:

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

2H-Pyrrol-2-one, 4-(3,4-dimethoxybenzoyl)-1,5-dihydro-3-hydroxy-5-(7-methoxy-1,3-benzodioxol-5-yl)-1-[(tetrahydro-2-furanyl)methyl]- [ACD/Index Name]
4-(3,4-Dimethoxybenzoyl)-3-hydroxy-5-(7-methoxy-1,3-benzodioxol-5-yl)-1-(tetrahydro-2-furanylmethyl)-1,5-dihydro-2H-pyrrol-2-on [German] [ACD/IUPAC Name]
4-(3,4-Dimethoxybenzoyl)-3-hydroxy-5-(7-methoxy-1,3-benzodioxol-5-yl)-1-(tetrahydro-2-furanylmethyl)-1,5-dihydro-2H-pyrrol-2-one [ACD/IUPAC Name]
4-(3,4-Diméthoxybenzoyl)-3-hydroxy-5-(7-méthoxy-1,3-benzodioxol-5-yl)-1-(tétrahydro-2-furanylméthyl)-1,5-dihydro-2H-pyrrol-2-one [French] [ACD/IUPAC Name]
4-[(3,4-dimethoxyphenyl)carbonyl]-3-hydroxy-5-(7-methoxy-1,3-benzodioxol-5-yl)-1-(tetrahydrofuran-2-ylmethyl)-1,5-dihydro-2H-pyrrol-2-one

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

Density: 1.4±0.1 g/cm3
Boiling Point: 694.2±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 106.8±3.0 kJ/mol
Flash Point: 373.7±31.5 °C
Index of Refraction: 1.619
Molar Refractivity: 126.4±0.3 cm3
#H bond acceptors: 10
#H bond donors: 1
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: 3.07
ACD/LogD (pH 5.5): 0.80
ACD/BCF (pH 5.5): 1.34
ACD/KOC (pH 5.5): 21.70
ACD/LogD (pH 7.4): -0.97
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 113 Å2
Polarizability: 50.1±0.5 10-24cm3
Surface Tension: 57.6±3.0 dyne/cm
Molar Volume: 360.3±3.0 cm3

Click to predict properties on the Chemicalize site


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