ChemSpider 2D Image | (9alpha,13alpha,14alpha)-17-Methyl-3-[(~2~H_3_)methyloxy]morphinan | C18H22D3NO

(9α,13α,14α)-17-Methyl-3-[(2H3)methyloxy]morphinan

  • Molecular FormulaC18H22D3NO
  • Average mass274.416 Da
  • Monoisotopic mass274.212433 Da
  • ChemSpider ID107446274
  • 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

(9α,13α,14α)-17-Methyl-3-[(2H3)methyloxy]morphinan [German] [ACD/IUPAC Name]
(9α,13α,14α)-17-Methyl-3-[(2H3)methyloxy]morphinan [ACD/IUPAC Name]
(9α,13α,14α)-17-Méthyl-3-[(2H3)méthyloxy]morphinane [French] [ACD/IUPAC Name]
Morphinan, 17-methyl-3-(methyl-d3-oxy)-, (9α,13α,14α)- [ACD/Index Name]
1079043-53-0 [RN]
1346673-25-3 [RN]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 394.9±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.9 mmHg at 25°C
Enthalpy of Vaporization: 64.5±3.0 kJ/mol
Flash Point: 116.2±30.2 °C
Index of Refraction: 1.585
Molar Refractivity: 81.8±0.4 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 4.11
ACD/LogD (pH 5.5): 0.59
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 2.17
ACD/LogD (pH 7.4): 1.86
ACD/BCF (pH 7.4): 5.90
ACD/KOC (pH 7.4): 40.21
Polar Surface Area: 12 Å2
Polarizability: 32.4±0.5 10-24cm3
Surface Tension: 44.9±5.0 dyne/cm
Molar Volume: 243.8±5.0 cm3

Click to predict properties on the Chemicalize site






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