ChemSpider 2D Image | (6alpha,13alpha)-3-Hydroxy-17-methyl-7,8-didehydro-4,5-epoxymorphinan-6-yl propionate | C20H23NO4

(6α,13α)-3-Hydroxy-17-methyl-7,8-didehydro-4,5-epoxymorphinan-6-yl propionate

  • Molecular FormulaC20H23NO4
  • Average mass341.401 Da
  • Monoisotopic mass341.162720 Da
  • ChemSpider ID58820207

  • defined stereocentres - 4 of 5 defined stereocentres

More details:

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

(6α,13α)-3-Hydroxy-17-methyl-7,8-didehydro-4,5-epoxymorphinan-6-yl propionate [ACD/IUPAC Name]
(6α,13α)-3-Hydroxy-17-methyl-7,8-didehydro-4,5-epoxymorphinan-6-ylpropionat [German] [ACD/IUPAC Name]
Morphinan-3,6-diol, 7,8-didehydro-4,5-epoxy-17-methyl-, 6-propanoate, (6α,13α)- [ACD/Index Name]
Propionate de (6α,13α)-3-hydroxy-17-méthyl-7,8-didéhydro-4,5-époxymorphinane-6-yle [French] [ACD/IUPAC Name]
66640-98-0 [RN]
6-O-Propanoylmorphine

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

Density: 1.4±0.1 g/cm3
Boiling Point: 480.8±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 77.4±3.0 kJ/mol
Flash Point: 244.6±28.7 °C
Index of Refraction: 1.653
Molar Refractivity: 92.2±0.4 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 1.86
ACD/LogD (pH 5.5): -0.43
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.45
ACD/LogD (pH 7.4): 1.23
ACD/BCF (pH 7.4): 3.87
ACD/KOC (pH 7.4): 66.47
Polar Surface Area: 59 Å2
Polarizability: 36.6±0.5 10-24cm3
Surface Tension: 61.8±5.0 dyne/cm
Molar Volume: 251.9±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement