ChemSpider 2D Image | 3-{3-[(3,3-Dimethyl-2-oxiranyl)methyl]-4-hydroxybenzyl}-4-(4-hydroxyphenyl)-2,5-furandione | C22H20O6

3-{3-[(3,3-Dimethyl-2-oxiranyl)methyl]-4-hydroxybenzyl}-4-(4-hydroxyphenyl)-2,5-furandione

  • Molecular FormulaC22H20O6
  • Average mass380.391 Da
  • Monoisotopic mass380.125977 Da
  • ChemSpider ID28521641

More details:

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

2,5-Furandione, 3-[[3-[(3,3-dimethyloxiranyl)methyl]-4-hydroxyphenyl]methyl]-4-(4-hydroxyphenyl)- [ACD/Index Name]
3-{3-[(3,3-Dimethyl-2-oxiranyl)methyl]-4-hydroxybenzyl}-4-(4-hydroxyphenyl)-2,5-furandion [German] [ACD/IUPAC Name]
3-{3-[(3,3-Dimethyl-2-oxiranyl)methyl]-4-hydroxybenzyl}-4-(4-hydroxyphenyl)-2,5-furandione [ACD/IUPAC Name]
3-{3-[(3,3-Diméthyl-2-oxiranyl)méthyl]-4-hydroxybenzyl}-4-(4-hydroxyphényl)-2,5-furanedione [French] [ACD/IUPAC Name]
Asperjinone

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

Density: 1.4±0.1 g/cm3
Boiling Point: 614.4±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 94.5±3.0 kJ/mol
Flash Point: 218.7±25.0 °C
Index of Refraction: 1.657
Molar Refractivity: 100.3±0.3 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 3.30
ACD/LogD (pH 5.5): 2.93
ACD/BCF (pH 5.5): 99.77
ACD/KOC (pH 5.5): 938.62
ACD/LogD (pH 7.4): 2.93
ACD/BCF (pH 7.4): 98.71
ACD/KOC (pH 7.4): 928.66
Polar Surface Area: 96 Å2
Polarizability: 39.8±0.5 10-24cm3
Surface Tension: 64.4±3.0 dyne/cm
Molar Volume: 272.9±3.0 cm3

Click to predict properties on the Chemicalize site


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