ChemSpider 2D Image | 7,8-Didehydro-4,5-epoxymorphinan-3,6-diol | C16H17NO3

7,8-Didehydro-4,5-epoxymorphinan-3,6-diol

  • Molecular FormulaC16H17NO3
  • Average mass271.311 Da
  • Monoisotopic mass271.120850 Da
  • ChemSpider ID28660225
  • defined stereocentres - 2 of 5 defined stereocentres


More details:






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

7,8-Didehydro-4,5-epoxymorphinan-3,6-diol [ACD/IUPAC Name]
7,8-Didehydro-4,5-epoxymorphinan-3,6-diol [German] [ACD/IUPAC Name]
7,8-Didéhydro-4,5-époxymorphinane-3,6-diol [French] [ACD/IUPAC Name]
Morphinan-3,6-diol, 7,8-didehydro-4,5-epoxy- [ACD/Index Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.5±0.1 g/cm3
Boiling Point: 485.8±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 79.1±3.0 kJ/mol
Flash Point: 247.6±28.7 °C
Index of Refraction: 1.734
Molar Refractivity: 73.2±0.4 cm3
#H bond acceptors: 4
#H bond donors: 3
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: 0.12
ACD/LogD (pH 5.5): -2.59
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -1.51
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 62 Å2
Polarizability: 29.0±0.5 10-24cm3
Surface Tension: 76.2±5.0 dyne/cm
Molar Volume: 182.6±5.0 cm3

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