ChemSpider 2D Image | (3alpha)-(13,13,13-~2~H_3_)Galanthamine | C17H18D3NO3

(3α)-(13,13,13-2H3)Galanthamine

  • Molecular FormulaC17H18D3NO3
  • Average mass290.372 Da
  • Monoisotopic mass290.170959 Da
  • ChemSpider ID58783760
  • defined stereocentres - 3 of 3 defined stereocentres

    Non-standard isotope - Non-standard isotope


More details:






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

(3α)-(13,13,13-2H3)Galanthamin [German] [ACD/IUPAC Name]
(3α)-(13,13,13-2H3)Galanthamine [ACD/IUPAC Name]
(3α)-(13,13,13-2H3)Galanthamine [French] [ACD/IUPAC Name]
6H-Benzofuro[3a,3,2-ef][2]benzazepin-6-ol, 4a,5,9,10,11,12-hexahydro-11-methyl-3-(methyl-d3-oxy)-, (4aS,6S,8aS)- [ACD/Index Name]
1217655-71-4 [RN]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 439.3±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 73.4±3.0 kJ/mol
Flash Point: 219.5±28.7 °C
Index of Refraction: 1.636
Molar Refractivity: 80.3±0.4 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 1.75
ACD/LogD (pH 5.5): -0.79
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 0.92
ACD/BCF (pH 7.4): 2.07
ACD/KOC (pH 7.4): 38.69
Polar Surface Area: 42 Å2
Polarizability: 31.8±0.5 10-24cm3
Surface Tension: 56.6±5.0 dyne/cm
Molar Volume: 223.9±5.0 cm3

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