ChemSpider 2D Image | (5alpha,14beta,18R)-18-({[(2E)-3-(4-Chlorophenyl)-2-propen-1-yl]amino}methyl)-6-methoxy-17-methyl-18,19-dihydro-4,5-epoxy-6,14-ethenomorphinan-3-ol | C30H35ClN2O3

(5α,14β,18R)-18-({[(2E)-3-(4-Chlorophenyl)-2-propen-1-yl]amino}methyl)-6-methoxy-17-methyl-18,19-dihydro-4,5-epoxy-6,14-ethenomorphinan-3-ol

  • Molecular FormulaC30H35ClN2O3
  • Average mass507.064 Da
  • Monoisotopic mass506.233612 Da
  • ChemSpider ID28942415

  • 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

(5α,14β,18R)-18-({[(2E)-3-(4-Chlorophenyl)-2-propen-1-yl]amino}methyl)-6-methoxy-17-methyl-18,19-dihydro-4,5-epoxy-6,14-ethenomorphinan-3-ol [ACD/IUPAC Name]
(5α,14β,18R)-18-({[(2E)-3-(4-Chlorophényl)-2-propén-1-yl]amino}méthyl)-6-méthoxy-17-méthyl-18,19-dihydro-4,5-époxy-6,14-éthénomorphinane-3-ol [French] [ACD/IUPAC Name]
(5α,14β,18R)-18-({[(2E)-3-(4-Chlorphenyl)-2-propen-1-yl]amino}methyl)-6-methoxy-17-methyl-18,19-dihydro-4,5-epoxy-6,14-ethenomorphinan-3-ol [German] [ACD/IUPAC Name]
6,14-Ethenomorphinan-3-ol, 18-[[[(2E)-3-(4-chlorophenyl)-2-propen-1-yl]amino]methyl]-4,5-epoxy-18,19-dihydro-6-methoxy-17-methyl-, (5α,14β,18R)- [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.674
Molar Refractivity: 141.8±0.4 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 3.01
ACD/LogD (pH 5.5): -0.11
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 1.96
ACD/BCF (pH 7.4): 6.01
ACD/KOC (pH 7.4): 33.99
Polar Surface Area: 54 Å2
Polarizability: 56.2±0.5 10-24cm3
Surface Tension: 63.3±5.0 dyne/cm
Molar Volume: 377.9±5.0 cm3

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