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Search term: ZJWPQUSUXBOTPF (Found by InChIKey (skeleton match))

ChemSpider 2D Image | (5alpha)-3-Methoxy-17-(~2~H_3_)methyl-4,5-epoxymorphinan | C18H20D3NO2

(5α)-3-Methoxy-17-(2H3)methyl-4,5-epoxymorphinan

  • Molecular FormulaC18H20D3NO2
  • Average mass288.399 Da
  • Monoisotopic mass288.191711 Da
  • ChemSpider ID58781384
  • defined stereocentres - 4 of 4 defined stereocentres

    Non-standard isotope - Non-standard isotope


More details:






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

(5α)-3-Methoxy-17-(2H3)methyl-4,5-epoxymorphinan [German] [ACD/IUPAC Name]
(5α)-3-Methoxy-17-(2H3)methyl-4,5-epoxymorphinan [ACD/IUPAC Name]
(5α)-3-Méthoxy-17-(2H3)méthyl-4,5-époxymorphinane [French] [ACD/IUPAC Name]
Morphinan, 4,5-epoxy-3-methoxy-17-(methyl-d3)-, (5α)- [ACD/Index Name]
1354573-61-7 [RN]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 416.2±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 66.9±3.0 kJ/mol
Flash Point: 150.1±17.3 °C
Index of Refraction: 1.622
Molar Refractivity: 81.4±0.4 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 3.01
ACD/LogD (pH 5.5): 0.06
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.24
ACD/LogD (pH 7.4): 1.54
ACD/BCF (pH 7.4): 3.99
ACD/KOC (pH 7.4): 37.19
Polar Surface Area: 22 Å2
Polarizability: 32.3±0.5 10-24cm3
Surface Tension: 51.1±5.0 dyne/cm
Molar Volume: 231.3±5.0 cm3

Click to predict properties on the Chemicalize site






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