ChemSpider 2D Image | 7,7',9,9',10,10'-Hexahydroxy-3,3'-dimethyl-3,3',4,4'-tetrahydro-1H,1'H-6,6'-bibenzo[g]isochromene-1,1'-dione | C28H22O10

7,7',9,9',10,10'-Hexahydroxy-3,3'-dimethyl-3,3',4,4'-tetrahydro-1H,1'H-6,6'-bibenzo[g]isochromene-1,1'-dione

  • Molecular FormulaC28H22O10
  • Average mass518.468 Da
  • Monoisotopic mass518.121277 Da
  • ChemSpider ID24669517

More details:

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

[6,6'-Bi-1H-naphtho[2,3-c]pyran]-1,1'-dione, 3,3',4,4'-tetrahydro-7,7',9,9',10,10'-hexahydroxy-3,3'-dimethyl- [ACD/Index Name]
7,7',9,9',10,10'-Hexahydroxy-3,3'-dimethyl-3,3',4,4'-tetrahydro-1H,1'H-6,6'-bibenzo[g]isochromen-1,1'-dion [German] [ACD/IUPAC Name]
7,7',9,9',10,10'-Hexahydroxy-3,3'-dimethyl-3,3',4,4'-tetrahydro-1H,1'H-6,6'-bibenzo[g]isochromene-1,1'-dione [ACD/IUPAC Name]
7,7',9,9',10,10'-Hexahydroxy-3,3'-diméthyl-3,3',4,4'-tétrahydro-1H,1'H-6,6'-bibenzo[g]isochromène-1,1'-dione [French] [ACD/IUPAC Name]
ASCHERNAPHTHOPYRONE A

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

Density: 1.6±0.1 g/cm3
Boiling Point: 777.9±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.8 mmHg at 25°C
Enthalpy of Vaporization: 117.2±3.0 kJ/mol
Flash Point: 264.5±26.4 °C
Index of Refraction: 1.779
Molar Refractivity: 135.1±0.3 cm3
#H bond acceptors: 10
#H bond donors: 6
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 3
ACD/LogP: 2.02
ACD/LogD (pH 5.5): 0.65
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 3.94
ACD/LogD (pH 7.4): -1.18
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 174 Å2
Polarizability: 53.5±0.5 10-24cm3
Surface Tension: 85.5±3.0 dyne/cm
Molar Volume: 322.3±3.0 cm3

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