ChemSpider 2D Image | (1aR,1bR,3aR,8bS,8cR,9S,9aS)-9-Hydroxy-1b,8b-dimethyl-1a,1b,3a,5,8b,8c,9,9a-octahydro-2H,7H-oxireno[4,5][2]benzofuro[7,1-fg]isochromene-2,7-dione | C16H16O6

(1aR,1bR,3aR,8bS,8cR,9S,9aS)-9-Hydroxy-1b,8b-dimethyl-1a,1b,3a,5,8b,8c,9,9a-octahydro-2H,7H-oxireno[4,5][2]benzofuro[7,1-fg]isochromene-2,7-dione

  • Molecular FormulaC16H16O6
  • Average mass304.295 Da
  • Monoisotopic mass304.094696 Da
  • ChemSpider ID28524806

  • defined stereocentres - 7 of 7 defined stereocentres

More details:

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

(1aR,1bR,3aR,8bS,8cR,9S,9aS)-9-Hydroxy-1b,8b-dimethyl-1a,1b,3a,5,8b,8c,9,9a-octahydro-2H,7H-oxireno[4,5][2]benzofuro[7,1-fg]isochromen-2,7-dion [German] [ACD/IUPAC Name]
(1aR,1bR,3aR,8bS,8cR,9S,9aS)-9-Hydroxy-1b,8b-dimethyl-1a,1b,3a,5,8b,8c,9,9a-octahydro-2H,7H-oxireno[4,5][2]benzofuro[7,1-fg]isochromene-2,7-dione [ACD/IUPAC Name]
(1aR,1bR,3aR,8bS,8cR,9S,9aS)-9-Hydroxy-1b,8b-diméthyl-1a,1b,3a,5,8b,8c,9,9a-octahydro-2H,7H-oxiréno[4,5][2]benzofuro[7,1-fg]isochromène-2,7-dione [French] [ACD/IUPAC Name]
2H,7H-Furo[2',3',4':4,5]oxireno[6,7]naphtho[2,1-c]pyran-2,7-dione, 1a,1b,3a,5,8b,8c,9,9a-octahydro-9-hydroxy-1b,8b-dimethyl-, (1aR,1bR,3aR,8bS,8cR,9S,9aS)- [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: 654.1±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.5 mmHg at 25°C
Enthalpy of Vaporization: 110.3±6.0 kJ/mol
Flash Point: 251.6±25.0 °C
Index of Refraction: 1.647
Molar Refractivity: 72.2±0.4 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: 0.05
ACD/LogD (pH 5.5): 0.48
ACD/BCF (pH 5.5): 1.37
ACD/KOC (pH 5.5): 43.69
ACD/LogD (pH 7.4): 0.48
ACD/BCF (pH 7.4): 1.37
ACD/KOC (pH 7.4): 43.69
Polar Surface Area: 85 Å2
Polarizability: 28.6±0.5 10-24cm3
Surface Tension: 64.2±5.0 dyne/cm
Molar Volume: 198.5±5.0 cm3

Click to predict properties on the Chemicalize site


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