ChemSpider 2D Image | (3aS,4aR,5R,7S,8aS,9R,10aS)-5,7-Dihydroxy-4a,9-dimethyl-3-methylenedecahydrofuro[2',3':5,6]cyclohepta[1,2-c]pyran-2(3H)-one | C15H22O5

(3aS,4aR,5R,7S,8aS,9R,10aS)-5,7-Dihydroxy-4a,9-dimethyl-3-methylenedecahydrofuro[2',3':5,6]cyclohepta[1,2-c]pyran-2(3H)-one

  • Molecular FormulaC15H22O5
  • Average mass282.332 Da
  • Monoisotopic mass282.146729 Da
  • ChemSpider ID58839256

  • defined stereocentres - 7 of 7 defined stereocentres

More details:

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

(3aS,4aR,5R,7S,8aS,9R,10aS)-5,7-Dihydroxy-4a,9-dimethyl-3-methylendecahydrofuro[2',3':5,6]cyclohepta[1,2-c]pyran-2(3H)-on [German] [ACD/IUPAC Name]
(3aS,4aR,5R,7S,8aS,9R,10aS)-5,7-Dihydroxy-4a,9-dimethyl-3-methylenedecahydrofuro[2',3':5,6]cyclohepta[1,2-c]pyran-2(3H)-one [ACD/IUPAC Name]
(3aS,4aR,5R,7S,8aS,9R,10aS)-5,7-Dihydroxy-4a,9-diméthyl-3-méthylènedécahydrofuro[2',3':5,6]cyclohepta[1,2-c]pyran-2(3H)-one [French] [ACD/IUPAC Name]
Furo[2',3':5,6]cyclohepta[1,2-c]pyran-2(3H)-one, decahydro-5,7-dihydroxy-4a,9-dimethyl-3-methylene-, (3aS,4aR,5R,7S,8aS,9R,10aS)- [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 487.9±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.8 mmHg at 25°C
Enthalpy of Vaporization: 86.9±6.0 kJ/mol
Flash Point: 182.5±22.2 °C
Index of Refraction: 1.553
Molar Refractivity: 71.5±0.4 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: 0.02
ACD/LogD (pH 5.5): 0.61
ACD/BCF (pH 5.5): 1.71
ACD/KOC (pH 5.5): 51.12
ACD/LogD (pH 7.4): 0.61
ACD/BCF (pH 7.4): 1.71
ACD/KOC (pH 7.4): 51.12
Polar Surface Area: 76 Å2
Polarizability: 28.3±0.5 10-24cm3
Surface Tension: 49.4±5.0 dyne/cm
Molar Volume: 223.2±5.0 cm3

Click to predict properties on the Chemicalize site


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