ChemSpider 2D Image | (5alpha,6alpha)-3-Methoxy-17-methyl-8,14-didehydro-4,5-epoxymorphinan-6-ol | C18H21NO3

(5α,6α)-3-Methoxy-17-methyl-8,14-didehydro-4,5-epoxymorphinan-6-ol

  • Molecular FormulaC18H21NO3
  • Average mass299.364 Da
  • Monoisotopic mass299.152130 Da
  • ChemSpider ID58817254
  • defined stereocentres - 3 of 4 defined stereocentres


More details:






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

(5α,6α)-3-Methoxy-17-methyl-8,14-didehydro-4,5-epoxymorphinan-6-ol [ACD/IUPAC Name]
(5α,6α)-3-Methoxy-17-methyl-8,14-didehydro-4,5-epoxymorphinan-6-ol [German] [ACD/IUPAC Name]
(5α,6α)-3-Méthoxy-17-méthyl-8,14-didéhydro-4,5-époxymorphinane-6-ol [French] [ACD/IUPAC Name]
Morphinan-6-ol, 8,14-didehydro-4,5-epoxy-3-methoxy-17-methyl-, (5α,6α)- [ACD/Index Name]
467-14-1 [RN]
NEOPINE

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

Density: 1.3±0.1 g/cm3
Boiling Point: 470.3±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 77.2±3.0 kJ/mol
Flash Point: 238.2±28.7 °C
Index of Refraction: 1.668
Molar Refractivity: 82.7±0.4 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 1.57
ACD/LogD (pH 5.5): -0.73
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 0.97
ACD/BCF (pH 7.4): 2.12
ACD/KOC (pH 7.4): 36.10
Polar Surface Area: 42 Å2
Polarizability: 32.8±0.5 10-24cm3
Surface Tension: 60.7±5.0 dyne/cm
Molar Volume: 221.8±5.0 cm3

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