ChemSpider 2D Image | (3R)-1-[2-(Benzyloxy)ethyl]-3-[2-hydroxy(di-2-thienyl)acetoxy]-1-azoniabicyclo[2.2.2]octane | C26H30NO4S2

(3R)-1-[2-(Benzyloxy)ethyl]-3-[2-hydroxy(di-2-thienyl)acetoxy]-1-azoniabicyclo[2.2.2]octane

  • Molecular FormulaC26H30NO4S2
  • Average mass484.650 Da
  • Monoisotopic mass484.161072 Da
  • ChemSpider ID76768003
  • Charge - Charge

    defined stereocentres - 1 of 3 defined stereocentres


More details:






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

(3R)-1-[2-(Benzyloxy)ethyl]-3-[2-hydroxy(di-2-thienyl)acetoxy]-1-azoniabicyclo[2.2.2]octan [German] [ACD/IUPAC Name]
(3R)-1-[2-(Benzyloxy)ethyl]-3-[2-hydroxy(di-2-thienyl)acetoxy]-1-azoniabicyclo[2.2.2]octane [ACD/IUPAC Name]
(3R)-1-[2-(Benzyloxy)éthyl]-3-[2-hydroxy-2,2-di(2-thiényl)acétoxy]-1-azoniabicyclo[2.2.2]octane [French] [ACD/IUPAC Name]
1-Azoniabicyclo[2.2.2]octane, 3-[(2-hydroxy-2,2-di-2-thienylacetyl)oxy]-1-[2-(phenylmethoxy)ethyl]-, (3R)- [ACD/Index Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

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: 10
#Rule of 5 Violations: 0
ACD/LogP: 1.73
ACD/LogD (pH 5.5): 1.02
ACD/BCF (pH 5.5): 3.53
ACD/KOC (pH 5.5): 85.76
ACD/LogD (pH 7.4): 1.02
ACD/BCF (pH 7.4): 3.54
ACD/KOC (pH 7.4): 86.17
Polar Surface Area: 112 Å2
Polarizability:
Surface Tension:
Molar Volume:

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