ChemSpider 2D Image | (3aS,5R,6aR,9R,9aS,9bS)-5,9-Dihydroxy-9-methyl-3,6-bis(methylene)decahydroazuleno[4,5-b]furan-2(3H)-one | C15H20O4

(3aS,5R,6aR,9R,9aS,9bS)-5,9-Dihydroxy-9-methyl-3,6-bis(methylene)decahydroazuleno[4,5-b]furan-2(3H)-one

  • Molecular FormulaC15H20O4
  • Average mass264.317 Da
  • Monoisotopic mass264.136169 Da
  • ChemSpider ID30656800

  • defined stereocentres - 6 of 6 defined stereocentres

More details:

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

(3aS,5R,6aR,9R,9aS,9bS)-5,9-Dihydroxy-9-methyl-3,6-bis(methylene)decahydroazuleno[4,5-b]furan-2(3H)-one [ACD/IUPAC Name]
(3aS,5R,6aR,9R,9aS,9bS)-5,9-Dihydroxy-9-methyl-3,6-dimethylendecahydroazuleno[4,5-b]furan-2(3H)-on [German] [ACD/IUPAC Name]
(3aS,5R,6aR,9R,9aS,9bS)-5,9-Dihydroxy-9-méthyl-3,6-diméthylènedécahydroazuléno[4,5-b]furan-2(3H)-one [French] [ACD/IUPAC Name]
Azuleno[4,5-b]furan-2(3H)-one, decahydro-5,9-dihydroxy-9-methyl-3,6-bis(methylene)-, (3aS,5R,6aR,9R,9aS,9bS)- [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: 472.0±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.7 mmHg at 25°C
Enthalpy of Vaporization: 84.7±6.0 kJ/mol
Flash Point: 178.4±22.2 °C
Index of Refraction: 1.569
Molar Refractivity: 69.3±0.4 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: 0.48
ACD/LogD (pH 5.5): 0.84
ACD/BCF (pH 5.5): 2.56
ACD/KOC (pH 5.5): 68.21
ACD/LogD (pH 7.4): 0.84
ACD/BCF (pH 7.4): 2.56
ACD/KOC (pH 7.4): 68.21
Polar Surface Area: 67 Å2
Polarizability: 27.5±0.5 10-24cm3
Surface Tension: 48.7±5.0 dyne/cm
Molar Volume: 211.6±5.0 cm3

Click to predict properties on the Chemicalize site


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