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ChemSpider 2D Image | (5alpha,6alpha)-3-Methoxy-17-methyl-7,8-didehydro-4,5-epoxymorphinan-6-ol | C18H21NO3

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

  • Molecular FormulaC18H21NO3
  • Average mass299.364 Da
  • Monoisotopic mass299.152130 Da
  • ChemSpider ID23120824
  • defined stereocentres - 2 of 5 defined stereocentres


More details:





Date of deprecation: 10:54, Nov 28, 2022
Reason for deprecation: Deprecate record: only 2 of 5 stereocentres defined

If you believe this record was deprecated in error, please use the Comment on this record button to contact the ChemSpider team.

Common reasons for deprecation are:
  • Chemically impossible structures (eg. incorrect valence atoms)
  • Lack of any linking data sources
  • Poor depiction of a structure that is already in ChemSpider

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

(5α,6α)-3-Methoxy-17-methyl-7,8-didehydro-4,5-epoxymorphinan-6-ol [ACD/IUPAC Name]
(5α,6α)-3-Methoxy-17-methyl-7,8-didehydro-4,5-epoxymorphinan-6-ol [German] [ACD/IUPAC Name]
(5α,6α)-3-Méthoxy-17-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-, (5α,6α)- [ACD/Index Name]
10-methoxy-4-methyl-(13R,14S)-12-oxa-4-azapentacyclo[9.6.1.01,13.05,17.07,18]octadeca-7(18),8,10,15-tetraen-14-ol

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

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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