ChemSpider 2D Image | 6,6',8,8'-Tetrahydroxy-7,7'-dimethoxy-3,3'-dimethyl-1H,1'H-5,5'-biisochromene-1,1'-dione | C22H18O10

6,6',8,8'-Tetrahydroxy-7,7'-dimethoxy-3,3'-dimethyl-1H,1'H-5,5'-biisochromene-1,1'-dione

  • Molecular FormulaC22H18O10
  • Average mass442.372 Da
  • Monoisotopic mass442.089996 Da
  • ChemSpider ID28288565

More details:

Featured data source
Natural Product Updates

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

[5,5'-Bi-1H-2-benzopyran]-1,1'-dione, 6,6',8,8'-tetrahydroxy-7,7'-dimethoxy-3,3'-dimethyl- [ACD/Index Name]
6,6',8,8'-Tetrahydroxy-7,7'-dimethoxy-3,3'-dimethyl-1H,1'H-5,5'-biisochromen-1,1'-dion [German] [ACD/IUPAC Name]
6,6',8,8'-Tetrahydroxy-7,7'-dimethoxy-3,3'-dimethyl-1H,1'H-5,5'-biisochromene-1,1'-dione [ACD/IUPAC Name]
6,6',8,8'-Tétrahydroxy-7,7'-diméthoxy-3,3'-diméthyl-1H,1'H-5,5'-biisochromène-1,1'-dione [French] [ACD/IUPAC Name]
bireticulol
E'AGN-PC-09LQ49'

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

Density: 1.5±0.1 g/cm3
Boiling Point: 752.2±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.6 mmHg at 25°C
Enthalpy of Vaporization: 113.5±3.0 kJ/mol
Flash Point: 266.3±26.4 °C
Index of Refraction: 1.675
Molar Refractivity: 108.2±0.3 cm3
#H bond acceptors: 10
#H bond donors: 4
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 1
ACD/LogP: 1.71
ACD/LogD (pH 5.5): 2.62
ACD/BCF (pH 5.5): 50.43
ACD/KOC (pH 5.5): 495.96
ACD/LogD (pH 7.4): 0.04
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.32
Polar Surface Area: 152 Å2
Polarizability: 42.9±0.5 10-24cm3
Surface Tension: 68.8±3.0 dyne/cm
Molar Volume: 287.7±3.0 cm3

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