ChemSpider 2D Image | (1aR,1bS,4R,4aS,6R,6aR,7aR,9aR)-6-Hydroxy-4-{[4-(4-methoxyphenyl)-1-piperazinyl]methyl}-6a,9a-dimethyldecahydrobisoxireno[5,6:9,10]cyclodeca[1,2-b]furan-3(1bH)-one | C26H36N2O6

(1aR,1bS,4R,4aS,6R,6aR,7aR,9aR)-6-Hydroxy-4-{[4-(4-methoxyphenyl)-1-piperazinyl]methyl}-6a,9a-dimethyldecahydrobisoxireno[5,6:9,10]cyclodeca[1,2-b]furan-3(1bH)-one

  • Molecular FormulaC26H36N2O6
  • Average mass472.574 Da
  • Monoisotopic mass472.257324 Da
  • ChemSpider ID30657514

  • defined stereocentres - 8 of 8 defined stereocentres

More details:

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

(1aR,1bS,4R,4aS,6R,6aR,7aR,9aR)-6-Hydroxy-4-{[4-(4-methoxyphenyl)-1-piperazinyl]methyl}-6a,9a-dimethyldecahydrobisoxireno[5,6:9,10]cyclodeca[1,2-b]furan-3(1bH)-on [German] [ACD/IUPAC Name]
(1aR,1bS,4R,4aS,6R,6aR,7aR,9aR)-6-Hydroxy-4-{[4-(4-methoxyphenyl)-1-piperazinyl]methyl}-6a,9a-dimethyldecahydrobisoxireno[5,6:9,10]cyclodeca[1,2-b]furan-3(1bH)-one [ACD/IUPAC Name]
(1aR,1bS,4R,4aS,6R,6aR,7aR,9aR)-6-Hydroxy-4-{[4-(4-méthoxyphényl)-1-pipérazinyl]méthyl}-6a,9a-diméthyldécahydrobisoxiréno[5,6:9,10]cyclodéca[1,2-b]furan-3(1bH)-one [French] [ACD/IUPAC Name]
Bisoxireno[5,6:9,10]cyclodeca[1,2-b]furan-3(1bH)-one, decahydro-6-hydroxy-4-[[4-(4-methoxyphenyl)-1-piperazinyl]methyl]-6a,9a-dimethyl-, (1aR,1bS,4R,4aS,6R,6aR,7aR,9aR)- [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: 669.9±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 103.4±3.0 kJ/mol
Flash Point: 359.0±31.5 °C
Index of Refraction: 1.578
Molar Refractivity: 124.6±0.3 cm3
#H bond acceptors: 8
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 0.00
ACD/LogD (pH 5.5): -0.73
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 2.30
ACD/LogD (pH 7.4): 0.52
ACD/BCF (pH 7.4): 1.38
ACD/KOC (pH 7.4): 40.81
Polar Surface Area: 87 Å2
Polarizability: 49.4±0.5 10-24cm3
Surface Tension: 48.7±3.0 dyne/cm
Molar Volume: 375.7±3.0 cm3

Click to predict properties on the Chemicalize site


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