ChemSpider 2D Image | (2R,3R)-2-(Diphenylmethyl)-3-[(3-iodo-5-methylbenzyl)oxy]quinuclidine | C28H30INO

(2R,3R)-2-(Diphenylmethyl)-3-[(3-iodo-5-methylbenzyl)oxy]quinuclidine

  • Molecular FormulaC28H30INO
  • Average mass523.448 Da
  • Monoisotopic mass523.137207 Da
  • ChemSpider ID8729435

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(2R,3R)-2-(Diphenylmethyl)-3-[(3-iod-5-methylbenzyl)oxy]chinuclidin [German] [ACD/IUPAC Name]
(2R,3R)-2-(Diphenylmethyl)-3-[(3-iodo-5-methylbenzyl)oxy]quinuclidine [ACD/IUPAC Name]
(2R,3R)-2-(Diphénylméthyl)-3-[(3-iodo-5-méthylbenzyl)oxy]quinuclidine [French] [ACD/IUPAC Name]
1-Azabicyclo[2.2.2]octane, 2-(diphenylmethyl)-3-[(3-iodo-5-methylphenyl)methoxy]-, (2R,3R)- [ACD/Index Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 571.2±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 85.7±3.0 kJ/mol
Flash Point: 299.2±30.1 °C
Index of Refraction: 1.665
Molar Refractivity: 136.8±0.4 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 2
ACD/LogP: 7.75
ACD/LogD (pH 5.5): 4.11
ACD/BCF (pH 5.5): 148.60
ACD/KOC (pH 5.5): 175.77
ACD/LogD (pH 7.4): 5.35
ACD/BCF (pH 7.4): 2594.82
ACD/KOC (pH 7.4): 3069.10
Polar Surface Area: 12 Å2
Polarizability: 54.3±0.5 10-24cm3
Surface Tension: 54.9±5.0 dyne/cm
Molar Volume: 368.7±5.0 cm3

Click to predict properties on the Chemicalize site


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