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

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

  • Molecular FormulaC20H23NO4
  • Average mass341.401 Da
  • Monoisotopic mass341.162720 Da
  • ChemSpider ID58820208

  • defined stereocentres - 4 of 5 defined stereocentres

More details:

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

(6α,13α)-6-Hydroxy-17-methyl-7,8-didehydro-4,5-epoxymorphinan-3-yl propionate [ACD/IUPAC Name]
(6α,13α)-6-Hydroxy-17-methyl-7,8-didehydro-4,5-epoxymorphinan-3-ylpropionat [German] [ACD/IUPAC Name]
Morphinan-3,6-diol, 7,8-didehydro-4,5-epoxy-17-methyl-, 3-propanoate, (6α,13α)- [ACD/Index Name]
Propionate de (6α,13α)-6-hydroxy-17-méthyl-7,8-didéhydro-4,5-époxymorphinane-3-yle [French] [ACD/IUPAC Name]
3-O-Propanoylmorphine
66640-97-9 [RN]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 504.4±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 81.5±3.0 kJ/mol
Flash Point: 258.9±30.1 °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: 1.15
ACD/LogD (pH 5.5): -0.99
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 0.70
ACD/BCF (pH 7.4): 1.25
ACD/KOC (pH 7.4): 23.40
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


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