ChemSpider 2D Image | 2-{[(2R,4aR,5S,10bR)-2,5-Dimethyl-5-(4-methylpentyl)-3,4,4a,10b-tetrahydro-2H,5H-pyrano[3,2-c]chromen-10-yl]oxy}-1-(4-morpholinyl)ethanone | C26H39NO5

2-{[(2R,4aR,5S,10bR)-2,5-Dimethyl-5-(4-methylpentyl)-3,4,4a,10b-tetrahydro-2H,5H-pyrano[3,2-c]chromen-10-yl]oxy}-1-(4-morpholinyl)ethanone

  • Molecular FormulaC26H39NO5
  • Average mass445.592 Da
  • Monoisotopic mass445.282837 Da
  • ChemSpider ID60575553

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

2-{[(2R,4aR,5S,10bR)-2,5-Dimethyl-5-(4-methylpentyl)-3,4,4a,10b-tetrahydro-2H,5H-pyrano[3,2-c]chromen-10-yl]oxy}-1-(4-morpholinyl)ethanon [German] [ACD/IUPAC Name]
2-{[(2R,4aR,5S,10bR)-2,5-Dimethyl-5-(4-methylpentyl)-3,4,4a,10b-tetrahydro-2H,5H-pyrano[3,2-c]chromen-10-yl]oxy}-1-(4-morpholinyl)ethanone [ACD/IUPAC Name]
2-{[(2R,4aR,5S,10bR)-2,5-Diméthyl-5-(4-méthylpentyl)-3,4,4a,10b-tétrahydro-2H,5H-pyrano[3,2-c]chromén-10-yl]oxy}-1-(4-morpholinyl)éthanone [French] [ACD/IUPAC Name]
Ethanone, 1-(4-morpholinyl)-2-[[(2R,4aR,5S,10bR)-3,4,4a,10b-tetrahydro-2,5-dimethyl-5-(4-methylpentyl)-2H,5H-pyrano[3,2-c][1]benzopyran-10-yl]oxy]- [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: 576.9±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 86.4±3.0 kJ/mol
Flash Point: 302.7±30.1 °C
Index of Refraction: 1.512
Molar Refractivity: 123.5±0.3 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: 5.32
ACD/LogD (pH 5.5): 5.00
ACD/BCF (pH 5.5): 3719.25
ACD/KOC (pH 5.5): 12511.97
ACD/LogD (pH 7.4): 5.00
ACD/BCF (pH 7.4): 3719.25
ACD/KOC (pH 7.4): 12511.97
Polar Surface Area: 57 Å2
Polarizability: 49.0±0.5 10-24cm3
Surface Tension: 36.9±3.0 dyne/cm
Molar Volume: 411.5±3.0 cm3

Click to predict properties on the Chemicalize site


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