ChemSpider 2D Image | 2-[(9R)-9-Hydroxy-6'-methoxycinchonan-1-ium-1-yl]-1-phenylethanone | C28H31N2O3

2-[(9R)-9-Hydroxy-6'-methoxycinchonan-1-ium-1-yl]-1-phenylethanone

  • Molecular FormulaC28H31N2O3
  • Average mass443.557 Da
  • Monoisotopic mass443.232910 Da
  • ChemSpider ID25043822

  • Charge - Charge

    defined stereocentres - 1 of 5 defined stereocentres

More details:

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

2-[(9R)-9-Hydroxy-6'-methoxycinchonan-1-ium-1-yl]-1-phenylethanon [German] [ACD/IUPAC Name]
2-[(9R)-9-Hydroxy-6'-methoxycinchonan-1-ium-1-yl]-1-phenylethanone [ACD/IUPAC Name]
2-[(9R)-9-Hydroxy-6'-méthoxycinchonan-1-ium-1-yl]-1-phényléthanone [French] [ACD/IUPAC Name]
Ethanone, 2-[(9R)-9-hydroxy-6'-methoxycinchonan-1-ium-1-yl]-1-phenyl- [ACD/Index Name]

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: 7
#Rule of 5 Violations: 0
ACD/LogP: -0.20
ACD/LogD (pH 5.5): -0.72
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 9.05
ACD/LogD (pH 7.4): -0.65
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 10.56
Polar Surface Area: 59 Å2
Polarizability:
Surface Tension:
Molar Volume:

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