ChemSpider 2D Image | (5alpha,6alpha)-3-Methoxy-17-(~2~H_3_)methyl-7,8-didehydro-4,5-epoxymorphinan-6-yl acetate | C20H20D3NO4

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

  • Molecular FormulaC20H20D3NO4
  • Average mass344.419 Da
  • Monoisotopic mass344.181549 Da
  • ChemSpider ID115005818

  • defined stereocentres - 4 of 5 defined stereocentres

    Non-standard isotope - Non-standard isotope

More details:

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

(5α,6α)-3-Methoxy-17-(2H3)methyl-7,8-didehydro-4,5-epoxymorphinan-6-yl acetate [ACD/IUPAC Name]
(5α,6α)-3-Methoxy-17-(2H3)methyl-7,8-didehydro-4,5-epoxymorphinan-6-yl-acetat [German] [ACD/IUPAC Name]
Acétate de (5α,6α)-3-méthoxy-17-(2H3)méthyl-7,8-didéhydro-4,5-époxymorphinane-6-yle [French] [ACD/IUPAC Name]
Morphinan-6-ol, 7,8-didehydro-4,5-epoxy-3-methoxy-17-(methyl-d3)-, acetate (ester), (5α,6α)- [ACD/Index Name]
219533-57-0 [RN]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 461.2±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 72.2±3.0 kJ/mol
Flash Point: 232.7±28.7 °C
Index of Refraction: 1.628
Molar Refractivity: 92.4±0.4 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 2.09
ACD/LogD (pH 5.5): -0.59
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 1.12
ACD/BCF (pH 7.4): 2.82
ACD/KOC (pH 7.4): 45.93
Polar Surface Area: 48 Å2
Polarizability: 36.6±0.5 10-24cm3
Surface Tension: 54.9±5.0 dyne/cm
Molar Volume: 260.6±5.0 cm3

Click to predict properties on the Chemicalize site


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