ChemSpider 2D Image | (5alpha,6alpha,9alpha)-6-Hydroxy-17-methyl-7,8-didehydro-4,5-epoxymorphinan-3-yl nicotinate | C23H22N2O4

(5α,6α,9α)-6-Hydroxy-17-methyl-7,8-didehydro-4,5-epoxymorphinan-3-yl nicotinate

  • Molecular FormulaC23H22N2O4
  • Average mass390.432 Da
  • Monoisotopic mass390.157959 Da
  • ChemSpider ID58817670

  • defined stereocentres - 4 of 5 defined stereocentres

More details:

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

(5α,6α,9α)-6-Hydroxy-17-methyl-7,8-didehydro-4,5-epoxymorphinan-3-yl nicotinate [ACD/IUPAC Name]
(5α,6α,9α)-6-Hydroxy-17-methyl-7,8-didehydro-4,5-epoxymorphinan-3-yl-nicotinat [German] [ACD/IUPAC Name]
3-Pyridinecarboxylic acid, (5α,6α,9α)-7,8-didehydro-4,5-epoxy-6-hydroxy-17-methylmorphinan-3-yl ester [ACD/Index Name]
Nicotinate de (5α,6α,9α)-6-hydroxy-17-méthyl-7,8-didéhydro-4,5-époxymorphinane-3-yle [French] [ACD/IUPAC Name]
83465-15-0 [RN]
morphine 3-nicotinate

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

Density: 1.4±0.1 g/cm3
Boiling Point: 619.2±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 96.5±3.0 kJ/mol
Flash Point: 328.3±31.5 °C
Index of Refraction: 1.706
Molar Refractivity: 105.5±0.4 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 1.69
ACD/LogD (pH 5.5): -0.86
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 0.84
ACD/BCF (pH 7.4): 1.58
ACD/KOC (pH 7.4): 27.51
Polar Surface Area: 72 Å2
Polarizability: 41.8±0.5 10-24cm3
Surface Tension: 74.0±5.0 dyne/cm
Molar Volume: 271.2±5.0 cm3

Click to predict properties on the Chemicalize site


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