ChemSpider 2D Image | 12-Hydroxy-18-(methoxycarbonyl)ibogamin-6-ium | C21H27N2O3

12-Hydroxy-18-(methoxycarbonyl)ibogamin-6-ium

  • Molecular FormulaC21H27N2O3
  • Average mass355.450 Da
  • Monoisotopic mass355.201630 Da
  • ChemSpider ID128919998

  • Charge - Charge

    defined stereocentres - 4 of 4 defined stereocentres

More details:

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

12-Hydroxy-18-(methoxycarbonyl)ibogamin-6-ium [German] [ACD/IUPAC Name]
12-Hydroxy-18-(methoxycarbonyl)ibogamin-6-ium [ACD/IUPAC Name]
12-Hydroxy-18-(méthoxycarbonyl)ibogamin-6-ium [French] [ACD/IUPAC Name]
Ibogamin-6-ium, 12-hydroxy-18-(methoxycarbonyl)- [ACD/Index Name]
(-)-10-hydroxycoronaridine
10-hydroxycoronaridine(1+)
  • Miscellaneous

    • Chemical Class:

      A tertiary ammonium ion resulting from the protonation of the tertiary amino group of 10-hydroxycoronaridine. The major species at pH 7.3. ChEBI CHEBI:146238

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

Density:
Boiling Point: 534.5±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 84.1±3.0 kJ/mol
Flash Point: 277.1±30.1 °C
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 2.95
ACD/LogD (pH 5.5): 0.79
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 6.43
ACD/LogD (pH 7.4): 2.47
ACD/BCF (pH 7.4): 33.55
ACD/KOC (pH 7.4): 309.47
Polar Surface Area: 67 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site


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