ChemSpider 2D Image | 1H-cyclopent[c]isoxazole, hexahydro-3-[7-(3-pyridinyl)heptyl]-1-[(6Z)-14-(3-pyridinyl)-6-tetradecen-1-yl]-, (3R,3aR,6aS)- | C37H57N3O

1H-cyclopent[c]isoxazole, hexahydro-3-[7-(3-pyridinyl)heptyl]-1-[(6Z)-14-(3-pyridinyl)-6-tetradecen-1-yl]-, (3R,3aR,6aS)-

  • Molecular FormulaC37H57N3O
  • Average mass559.868 Da
  • Monoisotopic mass559.450134 Da
  • ChemSpider ID21431293

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 3 of 3 defined stereocentres

More details:

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

1H-cyclopent[c]isoxazole, hexahydro-3-[7-(3-pyridinyl)heptyl]-1-[(6Z)-14-(3-pyridinyl)-6-tetradecen-1-yl]-, (3R,3aR,6aS)-

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

Density: 1.0±0.1 g/cm3
Boiling Point: 671.1±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 98.6±3.0 kJ/mol
Flash Point: 359.6±34.3 °C
Index of Refraction: 1.529
Molar Refractivity: 173.5±0.3 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 22
#Rule of 5 Violations: 2
ACD/LogP: 10.23
ACD/LogD (pH 5.5): 8.62
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 566060.63
ACD/LogD (pH 7.4): 9.30
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 2703974.25
Polar Surface Area: 38 Å2
Polarizability: 68.8±0.5 10-24cm3
Surface Tension: 40.6±3.0 dyne/cm
Molar Volume: 562.3±3.0 cm3

Click to predict properties on the Chemicalize site


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