ChemSpider 2D Image | (1aS,1bR,4S,4aR,6S,6aS,7aS,9aS)-6-Hydroxy-6a,9a-dimethyl-4-(1-piperidinylmethyl)decahydrobisoxireno[5,6:9,10]cyclodeca[1,2-b]furan-3(1bH)-one | C20H31NO5

(1aS,1bR,4S,4aR,6S,6aS,7aS,9aS)-6-Hydroxy-6a,9a-dimethyl-4-(1-piperidinylmethyl)decahydrobisoxireno[5,6:9,10]cyclodeca[1,2-b]furan-3(1bH)-one

  • Molecular FormulaC20H31NO5
  • Average mass365.464 Da
  • Monoisotopic mass365.220215 Da
  • ChemSpider ID30657111

  • defined stereocentres - 8 of 8 defined stereocentres

More details:

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

(1aS,1bR,4S,4aR,6S,6aS,7aS,9aS)-6-Hydroxy-6a,9a-dimethyl-4-(1-piperidinylmethyl)decahydrobisoxireno[5,6:9,10]cyclodeca[1,2-b]furan-3(1bH)-on [German] [ACD/IUPAC Name]
(1aS,1bR,4S,4aR,6S,6aS,7aS,9aS)-6-Hydroxy-6a,9a-dimethyl-4-(1-piperidinylmethyl)decahydrobisoxireno[5,6:9,10]cyclodeca[1,2-b]furan-3(1bH)-one [ACD/IUPAC Name]
(1aS,1bR,4S,4aR,6S,6aS,7aS,9aS)-6-Hydroxy-6a,9a-diméthyl-4-(1-pipéridinylméthyl)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-(1-piperidinylmethyl)-, (1aS,1bR,4S,4aR,6S,6aS,7aS,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: 538.6±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.3 mmHg at 25°C
Enthalpy of Vaporization: 93.8±6.0 kJ/mol
Flash Point: 279.6±30.1 °C
Index of Refraction: 1.551
Molar Refractivity: 94.6±0.3 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: -0.28
ACD/LogD (pH 5.5): -2.57
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -1.15
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.14
Polar Surface Area: 75 Å2
Polarizability: 37.5±0.5 10-24cm3
Surface Tension: 46.4±3.0 dyne/cm
Molar Volume: 296.4±3.0 cm3

Click to predict properties on the Chemicalize site


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