ChemSpider 2D Image | (9alpha)-3-Hydroxy-17-(~2~H_3_)methyl-7,8-didehydro-4,5-epoxymorphinan-6-yl acetate | C19H18D3NO4

(9α)-3-Hydroxy-17-(2H3)methyl-7,8-didehydro-4,5-epoxymorphinan-6-yl acetate

  • Molecular FormulaC19H18D3NO4
  • Average mass330.393 Da
  • Monoisotopic mass330.165894 Da
  • ChemSpider ID78429972

  • defined stereocentres - 2 of 5 defined stereocentres

    Non-standard isotope - Non-standard isotope

More details:

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

(9α)-3-Hydroxy-17-(2H3)methyl-7,8-didehydro-4,5-epoxymorphinan-6-yl acetate [ACD/IUPAC Name]
(9α)-3-Hydroxy-17-(2H3)methyl-7,8-didehydro-4,5-epoxymorphinan-6-yl-acetat [German] [ACD/IUPAC Name]
Acétate de (9α)-3-hydroxy-17-(2H3)méthyl-7,8-didéhydro-4,5-époxymorphinane-6-yle [French] [ACD/IUPAC Name]
Morphinan-3,6-diol, 7,8-didehydro-4,5-epoxy-17-(methyl-d3)-, 6-acetate, (9α)- [ACD/Index Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 470.2±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 76.1±3.0 kJ/mol
Flash Point: 238.2±28.7 °C
Index of Refraction: 1.666
Molar Refractivity: 87.6±0.4 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 1.32
ACD/LogD (pH 5.5): -0.87
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 0.82
ACD/BCF (pH 7.4): 1.76
ACD/KOC (pH 7.4): 34.78
Polar Surface Area: 59 Å2
Polarizability: 34.7±0.5 10-24cm3
Surface Tension: 63.8±5.0 dyne/cm
Molar Volume: 235.7±5.0 cm3

Click to predict properties on the Chemicalize site


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