ChemSpider 2D Image | (4aS,12bS)-8,10-Dihydroxy-2,5,5-trimethyl-3,4a,5,12b-tetrahydro-4H-dibenzo[c,g]chromene-7,12-dione | C20H20O5

(4aS,12bS)-8,10-Dihydroxy-2,5,5-trimethyl-3,4a,5,12b-tetrahydro-4H-dibenzo[c,g]chromene-7,12-dione

  • Molecular FormulaC20H20O5
  • Average mass340.370 Da
  • Monoisotopic mass340.131073 Da
  • ChemSpider ID78442908

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(4aS,12bS)-8,10-Dihydroxy-2,5,5-trimethyl-3,4a,5,12b-tetrahydro-4H-dibenzo[c,g]chromen-7,12-dion [German] [ACD/IUPAC Name]
(4aS,12bS)-8,10-Dihydroxy-2,5,5-trimethyl-3,4a,5,12b-tetrahydro-4H-dibenzo[c,g]chromene-7,12-dione [ACD/IUPAC Name]
(4aS,12bS)-8,10-Dihydroxy-2,5,5-triméthyl-3,4a,5,12b-tétrahydro-4H-dibenzo[c,g]chromène-7,12-dione [French] [ACD/IUPAC Name]
4H-Benzo[d]naphtho[2,3-b]pyran-7,12-dione, 3,4a,5,12b-tetrahydro-8,10-dihydroxy-2,5,5-trimethyl-, (4aS,12bS)- [ACD/Index Name]
7-Demethylnaphterpin

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

Density: 1.4±0.1 g/cm3
Boiling Point: 543.1±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 85.2±3.0 kJ/mol
Flash Point: 196.1±23.6 °C
Index of Refraction: 1.655
Molar Refractivity: 89.6±0.4 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: 3.73
ACD/LogD (pH 5.5): 4.41
ACD/BCF (pH 5.5): 1286.98
ACD/KOC (pH 5.5): 5661.74
ACD/LogD (pH 7.4): 3.33
ACD/BCF (pH 7.4): 107.17
ACD/KOC (pH 7.4): 471.48
Polar Surface Area: 84 Å2
Polarizability: 35.5±0.5 10-24cm3
Surface Tension: 64.4±5.0 dyne/cm
Molar Volume: 244.2±5.0 cm3

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