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ChemSpider 2D Image | (5alpha,6alpha,7beta)-7,17-Dimethyl-4,5-epoxymorphinan-3,6-diol | C18H23NO3

(5α,6α,7β)-7,17-Dimethyl-4,5-epoxymorphinan-3,6-diol

  • Molecular FormulaC18H23NO3
  • Average mass301.380 Da
  • Monoisotopic mass301.167786 Da
  • ChemSpider ID30818344
  • defined stereocentres - 6 of 6 defined stereocentres


More details:






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

(5α,6α,7β)-7,17-Dimethyl-4,5-epoxymorphinan-3,6-diol [German] [ACD/IUPAC Name]
(5α,6α,7β)-7,17-Dimethyl-4,5-epoxymorphinan-3,6-diol [ACD/IUPAC Name]
(5α,6α,7β)-7,17-Diméthyl-4,5-époxymorphinane-3,6-diol [French] [ACD/IUPAC Name]
Morphinan-3,6-diol, 4,5-epoxy-7,17-dimethyl-, (5α,6α,7β)- [ACD/Index Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 476.4±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 78.0±3.0 kJ/mol
Flash Point: 241.9±28.7 °C
Index of Refraction: 1.671
Molar Refractivity: 82.7±0.4 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: 1.11
ACD/LogD (pH 5.5): -1.19
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 0.46
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 14.26
Polar Surface Area: 53 Å2
Polarizability: 32.8±0.5 10-24cm3
Surface Tension: 65.0±5.0 dyne/cm
Molar Volume: 221.2±5.0 cm3

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