ChemSpider 2D Image | (5alpha,6alpha)-3-Methoxy-17-(~2~H_3_)methyl-7,8-didehydro-4,5-epoxymorphinan-6,14-diol | C18H18D3NO4

(5α,6α)-3-Methoxy-17-(2H3)methyl-7,8-didehydro-4,5-epoxymorphinan-6,14-diol

  • Molecular FormulaC18H18D3NO4
  • Average mass318.382 Da
  • Monoisotopic mass318.165894 Da
  • ChemSpider ID58782940

  • 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

(5α,6α)-3-Methoxy-17-(2H3)methyl-7,8-didehydro-4,5-epoxymorphinan-6,14-diol [German] [ACD/IUPAC Name]
(5α,6α)-3-Methoxy-17-(2H3)methyl-7,8-didehydro-4,5-epoxymorphinan-6,14-diol [ACD/IUPAC Name]
(5α,6α)-3-Méthoxy-17-(2H3)méthyl-7,8-didéhydro-4,5-époxymorphinane-6,14-diol [French] [ACD/IUPAC Name]
Morphinan-6,14-diol, 7,8-didehydro-4,5-epoxy-3-methoxy-17-(methyl-d3)-, (5α,6α)- [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: 506.3±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 81.7±3.0 kJ/mol
Flash Point: 260.0±30.1 °C
Index of Refraction: 1.695
Molar Refractivity: 84.4±0.4 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 1.03
ACD/LogD (pH 5.5): -1.36
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 0.24
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 22.88
Polar Surface Area: 62 Å2
Polarizability: 33.5±0.5 10-24cm3
Surface Tension: 70.2±5.0 dyne/cm
Molar Volume: 219.8±5.0 cm3

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