ChemSpider 2D Image | (5alpha,6alpha)-3-Methoxy-17-(~2~H_3_)methyl-7,8-didehydro-4,5-epoxymorphinan-6-ol | C18H18D3NO3

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

  • Molecular FormulaC18H18D3NO3
  • Average mass302.383 Da
  • Monoisotopic mass302.170959 Da
  • ChemSpider ID17345102

  • 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-ol [ACD/IUPAC Name]
(5α,6α)-3-Methoxy-17-(2H3)methyl-7,8-didehydro-4,5-epoxymorphinan-6-ol [German] [ACD/IUPAC Name]
(5α,6α)-3-Méthoxy-17-(2H3)méthyl-7,8-didéhydro-4,5-époxymorphinane-6-ol [French] [ACD/IUPAC Name]
Morphinan-6-ol, 7,8-didehydro-4,5-epoxy-3-methoxy-17-(methyl-d3)-, (5α,6α)- [ACD/Index Name]
Codeine-d3
Codeine-N-methyl-d3

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

610119_ALDRICH [DBID]
610127_ALDRICH [DBID]
C3672_SIGMA [DBID]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 462.0±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 76.2±3.0 kJ/mol
Flash Point: 233.2±28.7 °C
Index of Refraction: 1.667
Molar Refractivity: 82.9±0.4 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 1.20
ACD/LogD (pH 5.5): -1.40
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 0.28
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 12.73
Polar Surface Area: 42 Å2
Polarizability: 32.8±0.5 10-24cm3
Surface Tension: 60.5±5.0 dyne/cm
Molar Volume: 222.6±5.0 cm3

Click to predict properties on the Chemicalize site


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