ChemSpider 2D Image | (9S)-6'-Methoxycinchonan-9-ol | C20H24N2O2

(9S)-6'-Methoxycinchonan-9-ol

  • Molecular FormulaC20H24N2O2
  • Average mass324.417 Da
  • Monoisotopic mass324.183777 Da
  • ChemSpider ID21242832
  • defined stereocentres - 3 of 4 defined stereocentres


More details:






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

(9S)-6'-Methoxycinchonan-9-ol [ACD/IUPAC Name]
(9S)-6'-Methoxycinchonan-9-ol [German] [ACD/IUPAC Name]
(9S)-6'-Méthoxycinchonan-9-ol [French] [ACD/IUPAC Name]
Cinchonan-9-ol, 6'-methoxy-, (9S)- [ACD/Index Name]
(+)-Quinidine
(S)-(6-Methoxy-quinolin-4-yl)-((2R,5R)-5-vinyl-1-aza-bicyclo[2.2.2]oct-2-yl)-methanol
(S)-(6-methoxyquinolin-4-yl)((2R,5R)-5-vinylquinuclidin-2-yl)methanol
(S)-[(2R,5R)-5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl]-(6-methoxyquinolin-4-yl)methanol
10.1021/jm0508538
11010-73-4 [RN]
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.2±0.1 g/cm3
Boiling Point: 495.9±40.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 80.4±3.0 kJ/mol
Flash Point: 253.7±27.3 °C
Index of Refraction: 1.638
Molar Refractivity: 95.8±0.4 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 3.44
ACD/LogD (pH 5.5): -0.07
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 1.17
ACD/BCF (pH 7.4): 1.66
ACD/KOC (pH 7.4): 14.97
Polar Surface Area: 46 Å2
Polarizability: 38.0±0.5 10-24cm3
Surface Tension: 56.0±5.0 dyne/cm
Molar Volume: 266.4±5.0 cm3

Click to predict properties on the Chemicalize site






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