ChemSpider 2D Image | (5alpha,6alpha,7alpha,12beta,19alpha)-3-(Methoxycarbonyl)-2,3-didehydro-6,7-epoxyaspidospermidin-9-ium | C21H25N2O3

(5α,6α,7α,12β,19α)-3-(Methoxycarbonyl)-2,3-didehydro-6,7-epoxyaspidospermidin-9-ium

  • Molecular FormulaC21H25N2O3
  • Average mass353.434 Da
  • Monoisotopic mass353.185974 Da
  • ChemSpider ID128919942

  • Charge - Charge

    defined stereocentres - 5 of 5 defined stereocentres

More details:

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

(5α,6α,7α,12β,19α)-3-(Methoxycarbonyl)-2,3-didehydro-6,7-epoxyaspidospermidin-9-ium [German] [ACD/IUPAC Name]
(5α,6α,7α,12β,19α)-3-(Methoxycarbonyl)-2,3-didehydro-6,7-epoxyaspidospermidin-9-ium [ACD/IUPAC Name]
(5α,6α,7α,12β,19α)-3-(Méthoxycarbonyl)-2,3-didéhydro-6,7-époxyaspidospermidin-9-ium [French] [ACD/IUPAC Name]
Aspidospermidine-3-carboxylic acid, 2,3-didehydro-6,7-epoxy-, methyl ester, conjugate monoacid, (5α,6α,7α,12β,19α)- [ACD/Index Name]
lochnericine
lochnericine(1+)
  • Miscellaneous

    • Chemical Class:

      An ammonium ion derivative resulting from the protonation of the tertiary amino group of lochnericine. The major species at pH 7.3. ChEBI CHEBI:144374

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

Density:
Boiling Point: 501.0±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 77.0±3.0 kJ/mol
Flash Point: 256.8±30.1 °C
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 3.70
ACD/LogD (pH 5.5): 0.37
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 2.29
ACD/LogD (pH 7.4): 2.03
ACD/BCF (pH 7.4): 11.64
ACD/KOC (pH 7.4): 103.61
Polar Surface Area: 55 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site


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