ChemSpider 2D Image | (9alpha,13alpha,14alpha)-3,4,7-Trimethoxy-17-methyl-7,8-didehydromorphinan-6-one | C20H25NO4

(9α,13α,14α)-3,4,7-Trimethoxy-17-methyl-7,8-didehydromorphinan-6-one

  • Molecular FormulaC20H25NO4
  • Average mass343.417 Da
  • Monoisotopic mass343.178345 Da
  • ChemSpider ID24741332

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

(9α,13α,14α)-3,4,7-Trimethoxy-17-methyl-7,8-didehydromorphinan-6-on [German] [ACD/IUPAC Name]
(9α,13α,14α)-3,4,7-Trimethoxy-17-methyl-7,8-didehydromorphinan-6-one [ACD/IUPAC Name]
(9α,13α,14α)-3,4,7-Triméthoxy-17-méthyl-7,8-didéhydromorphinane-6-one [French] [ACD/IUPAC Name]
Morphinan-6-one, 7,8-didehydro-3,4,7-trimethoxy-17-methyl-, (9α,13α,14α)- [ACD/Index Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 511.3±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 78.2±3.0 kJ/mol
Flash Point: 263.0±30.1 °C
Index of Refraction: 1.594
Molar Refractivity: 94.3±0.4 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 2.01
ACD/LogD (pH 5.5): -0.05
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 2.33
ACD/LogD (pH 7.4): 1.62
ACD/BCF (pH 7.4): 7.71
ACD/KOC (pH 7.4): 110.07
Polar Surface Area: 48 Å2
Polarizability: 37.4±0.5 10-24cm3
Surface Tension: 50.0±5.0 dyne/cm
Molar Volume: 278.1±5.0 cm3

Click to predict properties on the Chemicalize site


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