ChemSpider 2D Image | cinchonan-3,9-diol, 6'-methoxy-, 9-acetate, (9R)- | C22H26N2O4

cinchonan-3,9-diol, 6'-methoxy-, 9-acetate, (9R)-

  • Molecular FormulaC22H26N2O4
  • Average mass382.453 Da
  • Monoisotopic mass382.189270 Da
  • ChemSpider ID21431221

  • defined stereocentres - 1 of 4 defined stereocentres

More details:

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

cinchonan-3,9-diol, 6'-methoxy-, 9-acetate, (9R)-

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

Density: 1.3±0.1 g/cm3
Boiling Point: 531.1±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 84.9±3.0 kJ/mol
Flash Point: 275.0±30.1 °C
Index of Refraction: 1.628
Molar Refractivity: 106.9±0.4 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 2.36
ACD/LogD (pH 5.5): -0.05
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.40
ACD/LogD (pH 7.4): 1.67
ACD/BCF (pH 7.4): 6.61
ACD/KOC (pH 7.4): 73.45
Polar Surface Area: 72 Å2
Polarizability: 42.4±0.5 10-24cm3
Surface Tension: 58.2±5.0 dyne/cm
Molar Volume: 301.4±5.0 cm3

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