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-(4-morpholinyl)ethanone | C27H39NO6

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-(4-morpholinyl)ethanone

  • Molecular FormulaC27H39NO6
  • Average mass473.602 Da
  • Monoisotopic mass473.277740 Da
  • ChemSpider ID21388883

  • 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-(4-morpholinyl)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-(4-morpholinyl)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-(4-morpholinyl)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-(4-morpholinyl)- [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: 631.9±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: 335.9±31.5 °C
Index of Refraction: 1.542
Molar Refractivity: 127.2±0.3 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 2.68
ACD/LogD (pH 5.5): 3.17
ACD/BCF (pH 5.5): 151.52
ACD/KOC (pH 5.5): 1265.85
ACD/LogD (pH 7.4): 3.17
ACD/BCF (pH 7.4): 151.52
ACD/KOC (pH 7.4): 1265.85
Polar Surface Area: 77 Å2
Polarizability: 50.4±0.5 10-24cm3
Surface Tension: 43.7±3.0 dyne/cm
Molar Volume: 404.3±3.0 cm3

Click to predict properties on the Chemicalize site


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