ChemSpider 2D Image | (3R,3aS,7S,8aR,8bR)-3,3a,6-Trihydroxy-8b-(hydroxymethyl)-7-methyl-4-methylene-7-[(2R)-3-methyl-5-oxo-2,5-dihydro-2-furanyl]-3a,4,7,8,8a,8b-hexahydro-2H-cyclopenta[ij]isochromene-2,5(3H)-dione | C19H20O9

(3R,3aS,7S,8aR,8bR)-3,3a,6-Trihydroxy-8b-(hydroxymethyl)-7-methyl-4-methylene-7-[(2R)-3-methyl-5-oxo-2,5-dihydro-2-furanyl]-3a,4,7,8,8a,8b-hexahydro-2H-cyclopenta[ij]isochromene-2,5(3H)-dione

  • Molecular FormulaC19H20O9
  • Average mass392.357 Da
  • Monoisotopic mass392.110718 Da
  • ChemSpider ID58136641

  • defined stereocentres - 6 of 6 defined stereocentres

More details:

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

(3R,3aS,7S,8aR,8bR)-3,3a,6-Trihydroxy-8b-(hydroxymethyl)-7-methyl-4-methylen-7-[(2R)-3-methyl-5-oxo-2,5-dihydro-2-furanyl]-3a,4,7,8,8a,8b-hexahydro-2H-cyclopenta[ij]isochromen-2,5(3H)-dion [German] [ACD/IUPAC Name]
(3R,3aS,7S,8aR,8bR)-3,3a,6-Trihydroxy-8b-(hydroxymethyl)-7-methyl-4-methylene-7-[(2R)-3-methyl-5-oxo-2,5-dihydro-2-furanyl]-3a,4,7,8,8a,8b-hexahydro-2H-cyclopenta[ij]isochromene-2,5(3H)-dione [ACD/IUPAC Name]
(3R,3aS,7S,8aR,8bR)-3,3a,6-Trihydroxy-8b-(hydroxyméthyl)-7-méthyl-4-méthylène-7-[(2R)-3-méthyl-5-oxo-2,5-dihydro-2-furanyl]-3a,4,7,8,8a,8b-hexahydro-2H-cyclopenta[ij]isochromène-2,5(3H)-dione [French] [ACD/IUPAC Name]
2H-Indeno[1,7-bc]pyran-2,5(3H)-dione, 7-[(2R)-2,5-dihydro-3-methyl-5-oxo-2-furanyl]-3a,4,7,8,8a,8b-hexahydro-3,3a,6-trihydroxy-8b-(hydroxymethyl)-7-methyl-4-methylene-, (3R,3aS,7S,8aR,8bR)- [ACD/Index Name]

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

Density: 1.6±0.1 g/cm3
Boiling Point: 733.6±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.4 mmHg at 25°C
Enthalpy of Vaporization: 122.2±6.0 kJ/mol
Flash Point: 266.4±26.4 °C
Index of Refraction: 1.668
Molar Refractivity: 90.5±0.4 cm3
#H bond acceptors: 9
#H bond donors: 4
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 0.83
ACD/LogD (pH 5.5): 0.18
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 29.72
ACD/LogD (pH 7.4): 0.08
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 23.65
Polar Surface Area: 151 Å2
Polarizability: 35.9±0.5 10-24cm3
Surface Tension: 81.5±5.0 dyne/cm
Molar Volume: 242.8±5.0 cm3

Click to predict properties on the Chemicalize site


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