ChemSpider 2D Image | (4beta,8alpha,9R)-6'-Methoxy-9-[(4beta,8alpha,9R)-6'-methoxycinchonan-9-yl]cinchonan | C40H46N4O2

(4β,8α,9R)-6'-Methoxy-9-[(4β,8α,9R)-6'-methoxycinchonan-9-yl]cinchonan

  • Molecular FormulaC40H46N4O2
  • Average mass614.819 Da
  • Monoisotopic mass614.362061 Da
  • ChemSpider ID30658744

  • defined stereocentres - 8 of 8 defined stereocentres

More details:

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

(4β,8α,9R)-6'-Methoxy-9-[(4β,8α,9R)-6'-methoxycinchonan-9-yl]cinchonan [German] [ACD/IUPAC Name]
(4β,8α,9R)-6'-Methoxy-9-[(4β,8α,9R)-6'-methoxycinchonan-9-yl]cinchonan [ACD/IUPAC Name]
(4β,8α,9R)-6'-Méthoxy-9-[(4β,8α,9R)-6'-méthoxycinchonan-9-yl]cinchonan [French] [ACD/IUPAC Name]
Cinchonan, 6'-methoxy-9-[(4β,8α,9R)-6'-methoxycinchonan-9-yl]-, (4β,8α,9R)- [ACD/Index Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 727.8±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 106.3±3.0 kJ/mol
Flash Point: 394.0±32.9 °C
Index of Refraction: 1.665
Molar Refractivity: 186.5±0.4 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: 7.47
ACD/LogD (pH 5.5): 2.45
ACD/BCF (pH 5.5): 4.05
ACD/KOC (pH 5.5): 5.72
ACD/LogD (pH 7.4): 2.94
ACD/BCF (pH 7.4): 12.37
ACD/KOC (pH 7.4): 17.49
Polar Surface Area: 51 Å2
Polarizability: 73.9±0.5 10-24cm3
Surface Tension: 59.4±5.0 dyne/cm
Molar Volume: 502.0±5.0 cm3

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