ChemSpider 2D Image | (3aS,4aR,5S,6R,8R,9aS)-5,6-Dihydroxy-4a,8-dimethyl-3-methylenedecahydroazuleno[6,5-b]furan-2(3H)-one | C15H22O4

(3aS,4aR,5S,6R,8R,9aS)-5,6-Dihydroxy-4a,8-dimethyl-3-methylenedecahydroazuleno[6,5-b]furan-2(3H)-one

  • Molecular FormulaC15H22O4
  • Average mass266.333 Da
  • Monoisotopic mass266.151794 Da
  • ChemSpider ID113600499

  • defined stereocentres - 6 of 7 defined stereocentres

More details:

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

(3aS,4aR,5S,6R,8R,9aS)-5,6-Dihydroxy-4a,8-dimethyl-3-methylendecahydroazuleno[6,5-b]furan-2(3H)-on [German] [ACD/IUPAC Name]
(3aS,4aR,5S,6R,8R,9aS)-5,6-Dihydroxy-4a,8-dimethyl-3-methylenedecahydroazuleno[6,5-b]furan-2(3H)-one [ACD/IUPAC Name]
(3aS,4aR,5S,6R,8R,9aS)-5,6-Dihydroxy-4a,8-diméthyl-3-méthylènedécahydroazuléno[6,5-b]furan-2(3H)-one [French] [ACD/IUPAC Name]
Azuleno[6,5-b]furan-2(3H)-one, decahydro-5,6-dihydroxy-4a,8-dimethyl-3-methylene-, (3aS,4aR,5S,6R,8R,9aS)- [ACD/Index Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 432.5±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 79.5±6.0 kJ/mol
Flash Point: 160.2±22.2 °C
Index of Refraction: 1.555
Molar Refractivity: 69.7±0.4 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: 0.78
ACD/LogD (pH 5.5): 0.95
ACD/BCF (pH 5.5): 3.13
ACD/KOC (pH 5.5): 78.73
ACD/LogD (pH 7.4): 0.95
ACD/BCF (pH 7.4): 3.13
ACD/KOC (pH 7.4): 78.73
Polar Surface Area: 67 Å2
Polarizability: 27.6±0.5 10-24cm3
Surface Tension: 48.0±5.0 dyne/cm
Molar Volume: 217.0±5.0 cm3

Click to predict properties on the Chemicalize site


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