ChemSpider 2D Image | (5alpha,6beta,13alpha,14alpha)-3-Hydroxy-17-(~2~H_3_)methyl-7,8-didehydro-4,5-epoxymorphinan-6-yl (~2~H_3_)acetate | C19H15D6NO4

(5α,6β,13α,14α)-3-Hydroxy-17-(2H3)methyl-7,8-didehydro-4,5-epoxymorphinan-6-yl (2H3)acetate

  • Molecular FormulaC19H15D6NO4
  • Average mass333.411 Da
  • Monoisotopic mass333.184723 Da
  • ChemSpider ID128926869

  • defined stereocentres - 5 of 5 defined stereocentres

    Non-standard isotope - Non-standard isotope

More details:

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

(2H3)Acétate de (5α,6β,13α,14α)-3-hydroxy-17-(2H3)méthyl-7,8-didéhydro-4,5-époxymorphinane-6-yle [French] [ACD/IUPAC Name]
(5α,6β,13α,14α)-3-Hydroxy-17-(2H3)methyl-7,8-didehydro-4,5-epoxymorphinan-6-yl (2H3)acetate [ACD/IUPAC Name]
(5α,6β,13α,14α)-3-Hydroxy-17-(2H3)methyl-7,8-didehydro-4,5-epoxymorphinan-6-yl-(2H3)acetat [German] [ACD/IUPAC Name]
Acetic-d3 acid, (5α,6β,13α,14α)-7,8-didehydro-4,5-epoxy-3-hydroxy-17-(methyl-d3)morphinan-6-yl ester [ACD/Index Name]
(5α,6α)-7,8-didehydro-4,5-epoxy-17-(methyl-d3)-morphinan-3,6-diol6-(acetate-d3)
152477-90-2 [RN]

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

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