ChemSpider 2D Image | (5xi,18beta)-18-(Methoxycarbonyl)-3,4-didehydroibogamin-6-ium | C21H25N2O2

(5ξ,18β)-18-(Methoxycarbonyl)-3,4-didehydroibogamin-6-ium

  • Molecular FormulaC21H25N2O2
  • Average mass337.435 Da
  • Monoisotopic mass337.191040 Da
  • ChemSpider ID128921088

  • Charge - Charge

    defined stereocentres - 1 of 3 defined stereocentres

More details:

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

(5ξ,18β)-18-(Methoxycarbonyl)-3,4-didehydroibogamin-6-ium [German] [ACD/IUPAC Name]
(5ξ,18β)-18-(Methoxycarbonyl)-3,4-didehydroibogamin-6-ium [ACD/IUPAC Name]
(5ξ,18β)-18-(Méthoxycarbonyl)-3,4-didéhydroibogamin-6-ium [French] [ACD/IUPAC Name]
Ibogamine-18-carboxylic acid, 3,4-didehydro-, methyl ester, conjugate monoacid, (5ξ,18β)- [ACD/Index Name]
Catharanthine [Wiki]

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

Density:
Boiling Point: 491.5±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 75.8±3.0 kJ/mol
Flash Point: 251.1±28.7 °C
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 4.05
ACD/LogD (pH 5.5): 2.27
ACD/BCF (pH 5.5): 12.25
ACD/KOC (pH 5.5): 68.53
ACD/LogD (pH 7.4): 3.76
ACD/BCF (pH 7.4): 376.06
ACD/KOC (pH 7.4): 2104.21
Polar Surface Area: 47 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site


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