ChemSpider 2D Image | (4beta,8alpha,9R)-Cinchonan-6',9-diol | C19H22N2O2

(4β,8α,9R)-Cinchonan-6',9-diol

  • Molecular FormulaC19H22N2O2
  • Average mass310.390 Da
  • Monoisotopic mass310.168121 Da
  • ChemSpider ID28418305
  • defined stereocentres - 4 of 4 defined stereocentres


More details:






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

(4β,8α,9R)-Cinchonan-6',9-diol [German] [ACD/IUPAC Name]
(4β,8α,9R)-Cinchonan-6',9-diol [ACD/IUPAC Name]
(4β,8α,9R)-Cinchonan-6',9-diol [French] [ACD/IUPAC Name]
Cinchonan-6',9-diol, (4β,8α,9R)- [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 514.6±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 82.8±3.0 kJ/mol
Flash Point: 265.0±28.7 °C
Index of Refraction: 1.677
Molar Refractivity: 91.0±0.4 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 3.07
ACD/LogD (pH 5.5): -0.46
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 0.77
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 8.88
Polar Surface Area: 57 Å2
Polarizability: 36.1±0.5 10-24cm3
Surface Tension: 64.9±5.0 dyne/cm
Molar Volume: 241.4±5.0 cm3

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