ChemSpider 2D Image | (3aS,7R,10bS)-7-Hydroxy-3a,10b-dimethyl-1,2,3,3a,5a,7,10b,10c-octahydro-4H,9H-[2]benzofuro[7,1-fg]isochromene-4,9-dione | C16H18O5

(3aS,7R,10bS)-7-Hydroxy-3a,10b-dimethyl-1,2,3,3a,5a,7,10b,10c-octahydro-4H,9H-[2]benzofuro[7,1-fg]isochromene-4,9-dione

  • Molecular FormulaC16H18O5
  • Average mass290.311 Da
  • Monoisotopic mass290.115417 Da
  • ChemSpider ID30649858
  • defined stereocentres - 3 of 5 defined stereocentres


More details:






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

(3aS,7R,10bS)-7-Hydroxy-3a,10b-dimethyl-1,2,3,3a,5a,7,10b,10c-octahydro-4H,9H-[2]benzofuro[7,1-fg]isochromen-4,9-dion [German] [ACD/IUPAC Name]
(3aS,7R,10bS)-7-Hydroxy-3a,10b-dimethyl-1,2,3,3a,5a,7,10b,10c-octahydro-4H,9H-[2]benzofuro[7,1-fg]isochromene-4,9-dione [ACD/IUPAC Name]
(3aS,7R,10bS)-7-Hydroxy-3a,10b-diméthyl-1,2,3,3a,5a,7,10b,10c-octahydro-4H,9H-[2]benzofuro[7,1-fg]isochromène-4,9-dione [French] [ACD/IUPAC Name]
4H,9H-Furo[2',3',4':4,5]naphtho[2,1-c]pyran-4,9-dione, 1,2,3,3a,5a,7,10b,10c-octahydro-7-hydroxy-3a,10b-dimethyl-, (3aS,7R,10bS)- [ACD/Index Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.4±0.1 g/cm3
Boiling Point: 596.6±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.8 mmHg at 25°C
Enthalpy of Vaporization: 102.0±6.0 kJ/mol
Flash Point: 228.1±23.6 °C
Index of Refraction: 1.607
Molar Refractivity: 72.5±0.4 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: -0.10
ACD/LogD (pH 5.5): 0.65
ACD/BCF (pH 5.5): 1.83
ACD/KOC (pH 5.5): 53.72
ACD/LogD (pH 7.4): 0.65
ACD/BCF (pH 7.4): 1.83
ACD/KOC (pH 7.4): 53.71
Polar Surface Area: 73 Å2
Polarizability: 28.8±0.5 10-24cm3
Surface Tension: 56.3±5.0 dyne/cm
Molar Volume: 210.0±5.0 cm3

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