ChemSpider 2D Image | MFCD16294876 | C17H18D3NO4

MFCD16294876

  • Molecular FormulaC17H18D3NO4
  • Average mass306.371 Da
  • Monoisotopic mass306.165894 Da
  • ChemSpider ID49073306

  • 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)-17-(2H3)Methyl-4,5-epoxymorphinan-3,6,14-triol [German] [ACD/IUPAC Name]
(5α)-17-(2H3)Methyl-4,5-epoxymorphinan-3,6,14-triol [ACD/IUPAC Name]
(5α)-17-(2H3)Méthyl-4,5-époxymorphinane-3,6,14-triol [French] [ACD/IUPAC Name]
200-659-6 [EINECS]
MFCD16294876
Morphinan-3,6,14-triol, 4,5-epoxy-17-(methyl-d3)-, (5α)- [ACD/Index Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 517.6±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 83.2±3.0 kJ/mol
Flash Point: 266.8±30.1 °C
Index of Refraction: 1.721
Molar Refractivity: 79.7±0.4 cm3
#H bond acceptors: 5
#H bond donors: 3
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: 0.32
ACD/LogD (pH 5.5): -1.18
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 0.43
ACD/BCF (pH 7.4): 1.02
ACD/KOC (pH 7.4): 27.45
Polar Surface Area: 73 Å2
Polarizability: 31.6±0.5 10-24cm3
Surface Tension: 81.4±5.0 dyne/cm
Molar Volume: 201.5±5.0 cm3

Click to predict properties on the Chemicalize site


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