ChemSpider 2D Image | (5beta,6alpha)-3-Methoxy-17-methyl-4,5-epoxymorphinan-6-yl acetate | C20H25NO4

(5β,6α)-3-Methoxy-17-methyl-4,5-epoxymorphinan-6-yl acetate

  • Molecular FormulaC20H25NO4
  • Average mass343.417 Da
  • Monoisotopic mass343.178345 Da
  • ChemSpider ID29367470

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

(5β,6α)-3-Methoxy-17-methyl-4,5-epoxymorphinan-6-yl acetate [ACD/IUPAC Name]
(5β,6α)-3-Methoxy-17-methyl-4,5-epoxymorphinan-6-yl-acetat [German] [ACD/IUPAC Name]
Acétate de (5β,6α)-3-méthoxy-17-méthyl-4,5-époxymorphinane-6-yle [French] [ACD/IUPAC Name]
Morphinan-6-ol, 4,5-epoxy-3-methoxy-17-methyl-, acetate (ester), (5β,6α)- [ACD/Index Name]
(5α,6α)-4,5-Epoxy-3-methoxy-17-methylmorphinan-6-yl acetate
(5α,6α)-4,5-epoxy-3-methoxy-17-methylmorphinan-6-ylacetate

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

Density: 1.3±0.1 g/cm3
Boiling Point: 465.4±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 72.7±3.0 kJ/mol
Flash Point: 235.3±28.7 °C
Index of Refraction: 1.609
Molar Refractivity: 92.5±0.4 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 2.26
ACD/LogD (pH 5.5): -0.19
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.27
ACD/LogD (pH 7.4): 1.50
ACD/BCF (pH 7.4): 5.01
ACD/KOC (pH 7.4): 62.29
Polar Surface Area: 48 Å2
Polarizability: 36.7±0.5 10-24cm3
Surface Tension: 53.2±5.0 dyne/cm
Molar Volume: 267.3±5.0 cm3

Click to predict properties on the Chemicalize site


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