ChemSpider 2D Image | (1aR,1bS,4R,4aS,6R,6aR,7aR,9aR)-6-Hydroxy-6a,9a-dimethyl-4-[(4-phenyl-1-piperazinyl)methyl]decahydrobisoxireno[5,6:9,10]cyclodeca[1,2-b]furan-3(1bH)-one | C25H34N2O5

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

  • Molecular FormulaC25H34N2O5
  • Average mass442.548 Da
  • Monoisotopic mass442.246765 Da
  • ChemSpider ID30657145

  • 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-6a,9a-dimethyl-4-[(4-phenyl-1-piperazinyl)methyl]decahydrobisoxireno[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-6a,9a-dimethyl-4-[(4-phenyl-1-piperazinyl)methyl]decahydrobisoxireno[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-6a,9a-diméthyl-4-[(4-phényl-1-pipérazinyl)méthyl]décahydrobisoxiréno[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-6a,9a-dimethyl-4-[(4-phenyl-1-piperazinyl)methyl]-, (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: 631.7±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 98.2±3.0 kJ/mol
Flash Point: 335.8±31.5 °C
Index of Refraction: 1.586
Molar Refractivity: 118.0±0.3 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 0.19
ACD/LogD (pH 5.5): -0.14
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 7.88
ACD/LogD (pH 7.4): 0.71
ACD/BCF (pH 7.4): 2.01
ACD/KOC (pH 7.4): 55.97
Polar Surface Area: 78 Å2
Polarizability: 46.8±0.5 10-24cm3
Surface Tension: 49.7±3.0 dyne/cm
Molar Volume: 351.7±3.0 cm3

Click to predict properties on the Chemicalize site


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