Found 19 results

Search term: BRUQQQPBMZOVGD (Found by InChIKey (skeleton match))
ChemSpider 2D Image | (5alpha,14alpha)-14-Hydroxy-3-methoxy-17-methyl-4,5-epoxymorphinan-6-one | C18H21NO4

(5α,14α)-14-Hydroxy-3-methoxy-17-methyl-4,5-epoxymorphinan-6-one

  • Molecular FormulaC18H21NO4
  • Average mass315.364 Da
  • Monoisotopic mass315.147064 Da
  • ChemSpider ID30489297

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

(5α,14α)-14-Hydroxy-3-methoxy-17-methyl-4,5-epoxymorphinan-6-on [German] [ACD/IUPAC Name]
(5α,14α)-14-Hydroxy-3-methoxy-17-methyl-4,5-epoxymorphinan-6-one [ACD/IUPAC Name]
(5α,14α)-14-Hydroxy-3-méthoxy-17-méthyl-4,5-époxymorphinane-6-one [French] [ACD/IUPAC Name]
Morphinan-6-one, 4,5-epoxy-14-hydroxy-3-methoxy-17-methyl-, (5α,14α)- [ACD/Index Name]
14α-Hydroxydihydrocodein​one
60888-44-0 [RN]
Morphinan-6-one, 4,5-epoxy-14-hydroxy-3-methoxy-17-methyl-, (5α,14α)-

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

Density: 1.4±0.1 g/cm3
Boiling Point: 501.6±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 81.1±3.0 kJ/mol
Flash Point: 257.1±30.1 °C
Index of Refraction: 1.659
Molar Refractivity: 83.1±0.4 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 1.67
ACD/LogD (pH 5.5): -1.22
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 0.45
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 25.79
Polar Surface Area: 59 Å2
Polarizability: 33.0±0.5 10-24cm3
Surface Tension: 64.5±5.0 dyne/cm
Molar Volume: 225.4±5.0 cm3

Click to predict properties on the Chemicalize site


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