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Search term: JLGLWPIHBBGNAU-WOYXWXRWSA-N (Found by InChIKey (full match))
ChemSpider 2D Image | (2E)-N-{[(5alpha,14beta,18R)-3,6-Dimethoxy-17-methyl-18,19-dihydro-4,5-epoxy-6,14-ethenomorphinan-18-yl]methyl}-3-phenyl-2-propen-1-amine | C31H38N2O3

(2E)-N-{[(5α,14β,18R)-3,6-Dimethoxy-17-methyl-18,19-dihydro-4,5-epoxy-6,14-ethenomorphinan-18-yl]methyl}-3-phenyl-2-propen-1-amine

  • Molecular FormulaC31H38N2O3
  • Average mass486.645 Da
  • Monoisotopic mass486.288239 Da
  • ChemSpider ID28942423

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 6 of 6 defined stereocentres

More details:

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

(2E)-N-{[(5α,14β,18R)-3,6-Dimethoxy-17-methyl-18,19-dihydro-4,5-epoxy-6,14-ethenomorphinan-18-yl]methyl}-3-phenyl-2-propen-1-amin [German] [ACD/IUPAC Name]
(2E)-N-{[(5α,14β,18R)-3,6-Dimethoxy-17-methyl-18,19-dihydro-4,5-epoxy-6,14-ethenomorphinan-18-yl]methyl}-3-phenyl-2-propen-1-amine [ACD/IUPAC Name]
(2E)-N-{[(5α,14β,18R)-3,6-Diméthoxy-17-méthyl-18,19-dihydro-4,5-époxy-6,14-éthénomorphinane-18-yl]méthyl}-3-phényl-2-propén-1-amine [French] [ACD/IUPAC Name]
2-Propen-1-amine, N-[[(5α,14β,18R)-4,5-epoxy-18,19-dihydro-3,6-dimethoxy-17-methyl-6,14-ethenomorphinan-18-yl]methyl]-3-phenyl-, (2E)- [ACD/Index Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.644
Molar Refractivity: 141.8±0.4 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 3.25
ACD/LogD (pH 5.5): -0.03
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 1.18
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 5.08
Polar Surface Area: 43 Å2
Polarizability: 56.2±0.5 10-24cm3
Surface Tension: 56.0±5.0 dyne/cm
Molar Volume: 391.9±5.0 cm3

Click to predict properties on the Chemicalize site


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