ChemSpider 2D Image | 3-(3-{[(2S,5R)-5-(3,4-Dimethoxyphenyl)tetrahydro-2-furanyl]oxy}propyl)-1-methylpyridinium | C21H28NO4

3-(3-{[(2S,5R)-5-(3,4-Dimethoxyphenyl)tetrahydro-2-furanyl]oxy}propyl)-1-methylpyridinium

  • Molecular FormulaC21H28NO4
  • Average mass358.451 Da
  • Monoisotopic mass358.201294 Da
  • ChemSpider ID25043785

  • Charge - Charge

    defined stereocentres - 2 of 2 defined stereocentres

More details:

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

3-(3-{[(2S,5R)-5-(3,4-Dimethoxyphenyl)tetrahydro-2-furanyl]oxy}propyl)-1-methylpyridinium [German] [ACD/IUPAC Name]
3-(3-{[(2S,5R)-5-(3,4-Dimethoxyphenyl)tetrahydro-2-furanyl]oxy}propyl)-1-methylpyridinium [ACD/IUPAC Name]
3-(3-{[(2S,5R)-5-(3,4-Diméthoxyphényl)tétrahydro-2-furanyl]oxy}propyl)-1-méthylpyridinium [French] [ACD/IUPAC Name]
Pyridinium, 3-[3-[[(2S,5R)-5-(3,4-dimethoxyphenyl)tetrahydro-2-furanyl]oxy]propyl]-1-methyl- [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: 0
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: -1.75
ACD/LogD (pH 5.5): -1.78
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 2.57
ACD/LogD (pH 7.4): -1.78
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 2.57
Polar Surface Area: 41 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site


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