ChemSpider 2D Image | 3-(1-Acetyl-1,5,6-trihydroxy-1H-inden-2-yl)-8,9-dihydroxy-1H,6H-pyrano[4,3-c]isochromene-1,6-dione | C23H14O10

3-(1-Acetyl-1,5,6-trihydroxy-1H-inden-2-yl)-8,9-dihydroxy-1H,6H-pyrano[4,3-c]isochromene-1,6-dione

  • Molecular FormulaC23H14O10
  • Average mass450.351 Da
  • Monoisotopic mass450.058685 Da
  • ChemSpider ID23298717

More details:

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

1H,6H-Pyrano[4,3-c][2]benzopyran-1,6-dione, 3-(1-acetyl-1,5,6-trihydroxy-1H-inden-2-yl)-8,9-dihydroxy- [ACD/Index Name]
3-(1-Acetyl-1,5,6-trihydroxy-1H-inden-2-yl)-8,9-dihydroxy-1H,6H-pyrano[4,3-c]isochromen-1,6-dion [German] [ACD/IUPAC Name]
3-(1-Acetyl-1,5,6-trihydroxy-1H-inden-2-yl)-8,9-dihydroxy-1H,6H-pyrano[4,3-c]isochromene-1,6-dione [ACD/IUPAC Name]
3-(1-Acétyl-1,5,6-trihydroxy-1H-indén-2-yl)-8,9-dihydroxy-1H,6H-pyrano[4,3-c]isochromène-1,6-dione [French] [ACD/IUPAC Name]
3-(1-acetyl-1,5,6-trihydroxy-1H-inden-2-yl)-8,9-dihydroxypyrano[4,3-c]isochromene-1,6-dione
Inonoblin B

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

Density: 1.9±0.1 g/cm3
Boiling Point: 931.5±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 141.9±3.0 kJ/mol
Flash Point: 329.9±27.8 °C
Index of Refraction: 1.844
Molar Refractivity: 106.6±0.4 cm3
#H bond acceptors: 10
#H bond donors: 5
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 2
ACD/LogP: 1.75
ACD/LogD (pH 5.5): 1.50
ACD/BCF (pH 5.5): 8.13
ACD/KOC (pH 5.5): 154.96
ACD/LogD (pH 7.4): 1.07
ACD/BCF (pH 7.4): 3.00
ACD/KOC (pH 7.4): 57.15
Polar Surface Area: 171 Å2
Polarizability: 42.2±0.5 10-24cm3
Surface Tension: 126.8±5.0 dyne/cm
Molar Volume: 239.7±5.0 cm3

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