ChemSpider 2D Image | 17-Methyl-7,8-didehydro-4,5-epoxymorphinan-3,6-diyl diacetate | C21H23NO5

17-Methyl-7,8-didehydro-4,5-epoxymorphinan-3,6-diyl diacetate

  • Molecular FormulaC21H23NO5
  • Average mass369.411 Da
  • Monoisotopic mass369.157623 Da
  • ChemSpider ID57425822

  • defined stereocentres - 2 of 5 defined stereocentres

More details:

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

17-Methyl-7,8-didehydro-4,5-epoxymorphinan-3,6-diyl diacetate [ACD/IUPAC Name]
17-Methyl-7,8-didehydro-4,5-epoxymorphinan-3,6-diyl-diacetat [German] [ACD/IUPAC Name]
Diacétate de 17-méthyl-7,8-didéhydro-4,5-époxymorphinane-3,6-diyle [French] [ACD/IUPAC Name]
Morphinan-3,6-diol, 7,8-didehydro-4,5-epoxy-17-methyl-, diacetate (ester) [ACD/Index Name]
(5a,6a)-7,8-Didehydro-4,5-epoxy-17-methylmorphinan-3,6-diol 3,6-diacetate
561-27-3 [RN]
Acetomorphine
diacetylmorphine [Wiki]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 492.9±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 76.0±3.0 kJ/mol
Flash Point: 251.9±28.7 °C
Index of Refraction: 1.629
Molar Refractivity: 97.2±0.4 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 1.52
ACD/LogD (pH 5.5): -0.47
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.13
ACD/LogD (pH 7.4): 1.24
ACD/BCF (pH 7.4): 3.62
ACD/KOC (pH 7.4): 57.34
Polar Surface Area: 65 Å2
Polarizability: 38.5±0.5 10-24cm3
Surface Tension: 57.9±5.0 dyne/cm
Molar Volume: 273.7±5.0 cm3

Click to predict properties on the Chemicalize site


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