ChemSpider 2D Image | [(2alpha,5beta,18beta)-12-Methoxyibogamin-16-yl]methanol | C21H28N2O2

[(2α,5β,18β)-12-Methoxyibogamin-16-yl]methanol

  • Molecular FormulaC21H28N2O2
  • Average mass340.459 Da
  • Monoisotopic mass340.215088 Da
  • ChemSpider ID24740580

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

[(2α,5β,18β)-12-Methoxyibogamin-16-yl]methanol [ACD/IUPAC Name]
[(2α,5β,18β)-12-Methoxyibogamin-16-yl]methanol [German] [ACD/IUPAC Name]
[(2α,5β,18β)-12-Méthoxyibogamin-16-yl]méthanol [French] [ACD/IUPAC Name]
Methanol, 1-[(2α,5β,18β)-12-methoxyibogamin-16-yl]- [ACD/Index Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 525.8±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 84.2±3.0 kJ/mol
Flash Point: 271.8±30.1 °C
Index of Refraction: 1.692
Molar Refractivity: 96.4±0.5 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 3.94
ACD/LogD (pH 5.5): 0.75
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 2.61
ACD/LogD (pH 7.4): 1.98
ACD/BCF (pH 7.4): 7.09
ACD/KOC (pH 7.4): 44.51
Polar Surface Area: 38 Å2
Polarizability: 38.2±0.5 10-24cm3
Surface Tension: 50.0±7.0 dyne/cm
Molar Volume: 251.6±7.0 cm3

Click to predict properties on the Chemicalize site


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