ChemSpider 2D Image | 5,6a,12-Trihydroxy-2-isopropenyl-8,9-dimethoxy-1,2,12,12a-tetrahydrochromeno[3,4-b]furo[2,3-h]chromen-6(6aH)-one | C23H22O9

5,6a,12-Trihydroxy-2-isopropenyl-8,9-dimethoxy-1,2,12,12a-tetrahydrochromeno[3,4-b]furo[2,3-h]chromen-6(6aH)-one

  • Molecular FormulaC23H22O9
  • Average mass442.415 Da
  • Monoisotopic mass442.126373 Da
  • ChemSpider ID22370033

More details:

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

5,6a,12-Trihydroxy-2-isopropenyl-8,9-dimethoxy-1,2,12,12a-tetrahydrochromeno[3,4-b]furo[2,3-h]chromen-6(6aH)-on [German] [ACD/IUPAC Name]
5,6a,12-Trihydroxy-2-isopropenyl-8,9-dimethoxy-1,2,12,12a-tetrahydrochromeno[3,4-b]furo[2,3-h]chromen-6(6aH)-one [ACD/IUPAC Name]
5,6a,12-Trihydroxy-2-isopropényl-8,9-diméthoxy-1,2,12,12a-tétrahydrochroméno[3,4-b]furo[2,3-h]chromén-6(6aH)-one [French] [ACD/IUPAC Name]
Furo[2',3':7,8][1]benzopyrano[2,3-c][1]benzopyran-6(6aH)-one, 1,2,12,12a-tetrahydro-5,6a,12-trihydroxy-8,9-dimethoxy-2-(1-methylethenyl)- [ACD/Index Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 717.0±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 110.0±3.0 kJ/mol
Flash Point: 252.2±26.4 °C
Index of Refraction: 1.661
Molar Refractivity: 109.9±0.3 cm3
#H bond acceptors: 9
#H bond donors: 3
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 4.13
ACD/LogD (pH 5.5): 3.53
ACD/BCF (pH 5.5): 282.24
ACD/KOC (pH 5.5): 1955.84
ACD/LogD (pH 7.4): 2.96
ACD/BCF (pH 7.4): 75.01
ACD/KOC (pH 7.4): 519.79
Polar Surface Area: 124 Å2
Polarizability: 43.6±0.5 10-24cm3
Surface Tension: 66.9±3.0 dyne/cm
Molar Volume: 297.5±3.0 cm3

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