ChemSpider 2D Image | (3alpha,9S)-6'-Methoxy(10,11,11-~2~H_3_)cinchonan-3,9-diol | C20H21D3N2O3

(3α,9S)-6'-Methoxy(10,11,11-2H3)cinchonan-3,9-diol

  • Molecular FormulaC20H21D3N2O3
  • Average mass343.435 Da
  • Monoisotopic mass343.197510 Da
  • ChemSpider ID58784720

  • defined stereocentres - 3 of 4 defined stereocentres

    Non-standard isotope - Non-standard isotope

More details:

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

(3α,9S)-6'-Methoxy(10,11,11-2H3)cinchonan-3,9-diol [German] [ACD/IUPAC Name]
(3α,9S)-6'-Methoxy(10,11,11-2H3)cinchonan-3,9-diol [ACD/IUPAC Name]
(3α,9S)-6'-Méthoxy(10,11,11-2H3)cinchonan-3,9-diol [French] [ACD/IUPAC Name]
Cinchonan-10,11,11-d3-3,9-diol, 6'-methoxy-, (3α,9S)- [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 534.3±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 85.3±3.0 kJ/mol
Flash Point: 276.9±30.1 °C
Index of Refraction: 1.661
Molar Refractivity: 97.4±0.4 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 2.19
ACD/LogD (pH 5.5): -0.71
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 0.98
ACD/BCF (pH 7.4): 1.75
ACD/KOC (pH 7.4): 24.69
Polar Surface Area: 66 Å2
Polarizability: 38.6±0.5 10-24cm3
Surface Tension: 63.6±5.0 dyne/cm
Molar Volume: 263.5±5.0 cm3

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