ChemSpider 2D Image | 2-[(3R,4aR,6aR,7S,8R,10bR)-8-Hydroxy-6a,10b-dimethyl-3-(phenoxymethyl)decahydro-1H-naphtho[2,1-d][1,3]dioxin-7-yl]-1-(1-piperidinyl)ethanone | C28H41NO5

2-[(3R,4aR,6aR,7S,8R,10bR)-8-Hydroxy-6a,10b-dimethyl-3-(phenoxymethyl)decahydro-1H-naphtho[2,1-d][1,3]dioxin-7-yl]-1-(1-piperidinyl)ethanone

  • Molecular FormulaC28H41NO5
  • Average mass471.629 Da
  • Monoisotopic mass471.298462 Da
  • ChemSpider ID21388884

  • defined stereocentres - 6 of 7 defined stereocentres

More details:

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

2-[(3R,4aR,6aR,7S,8R,10bR)-8-Hydroxy-6a,10b-dimethyl-3-(phenoxymethyl)decahydro-1H-naphtho[2,1-d][1,3]dioxin-7-yl]-1-(1-piperidinyl)ethanon [German] [ACD/IUPAC Name]
2-[(3R,4aR,6aR,7S,8R,10bR)-8-Hydroxy-6a,10b-dimethyl-3-(phenoxymethyl)decahydro-1H-naphtho[2,1-d][1,3]dioxin-7-yl]-1-(1-piperidinyl)ethanone [ACD/IUPAC Name]
2-[(3R,4aR,6aR,7S,8R,10bR)-8-Hydroxy-6a,10b-diméthyl-3-(phénoxyméthyl)décahydro-1H-naphto[2,1-d][1,3]dioxin-7-yl]-1-(1-pipéridinyl)éthanone [French] [ACD/IUPAC Name]
Ethanone, 2-[(3R,4aR,6aR,7S,8R,10bR)-decahydro-8-hydroxy-6a,10b-dimethyl-3-(phenoxymethyl)-1H-naphtho[2,1-d][1,3]dioxin-7-yl]-1-(1-piperidinyl)- [ACD/Index Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 621.1±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 96.7±3.0 kJ/mol
Flash Point: 329.4±31.5 °C
Index of Refraction: 1.543
Molar Refractivity: 130.3±0.3 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 3.74
ACD/LogD (pH 5.5): 3.95
ACD/BCF (pH 5.5): 590.46
ACD/KOC (pH 5.5): 3351.35
ACD/LogD (pH 7.4): 3.95
ACD/BCF (pH 7.4): 590.46
ACD/KOC (pH 7.4): 3351.35
Polar Surface Area: 68 Å2
Polarizability: 51.6±0.5 10-24cm3
Surface Tension: 43.2±3.0 dyne/cm
Molar Volume: 413.2±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement