ChemSpider 2D Image | (19alpha)-16-(Methoxycarbonyl)-19-methyl-3,4,5,6,16,17-hexadehydro-18-oxayohimban-1,4-diium | C21H22N2O3

(19α)-16-(Methoxycarbonyl)-19-methyl-3,4,5,6,16,17-hexadehydro-18-oxayohimban-1,4-diium

  • Molecular FormulaC21H22N2O3
  • Average mass350.410 Da
  • Monoisotopic mass350.161957 Da
  • ChemSpider ID23090444

  • Charge - Charge

    defined stereocentres - 3 of 3 defined stereocentres

More details:

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

(19α)-16-(Methoxycarbonyl)-19-methyl-3,4,5,6,16,17-hexadehydro-18-oxajohimban-1,4-diium [German] [ACD/IUPAC Name]
(19α)-16-(Methoxycarbonyl)-19-methyl-3,4,5,6,16,17-hexadehydro-18-oxayohimban-1,4-diium [ACD/IUPAC Name]
(19α)-16-(Méthoxycarbonyl)-19-méthyl-3,4,5,6,16,17-hexadéhydro-18-oxayohimban-1,4-diium [French] [ACD/IUPAC Name]
Oxayohimban-4-ium, 3,4,5,6,16,17-hexadehydro-16-(methoxycarbonyl)-19-methyl-, conjugate acid, (19α)- [ACD/Index Name]
Serpentine

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

Density:
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: -2.80
ACD/LogD (pH 5.5): -1.78
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 2.56
ACD/LogD (pH 7.4): -1.78
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 2.56
Polar Surface Area: 39 Å2
Polarizability:
Surface Tension:
Molar Volume:

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