ChemSpider 2D Image | (5alpha,6beta,14beta,18R)-17-(Cyclopropylmethyl)-18-[(2R)-2-hydroxy-1-phenyl-2-propanyl]-6-methoxy-18,19-dihydro-4,5-epoxy-6,14-ethenomorphinan-3-ol | C32H39NO4

(5α,6β,14β,18R)-17-(Cyclopropylmethyl)-18-[(2R)-2-hydroxy-1-phenyl-2-propanyl]-6-methoxy-18,19-dihydro-4,5-epoxy-6,14-ethenomorphinan-3-ol

  • Molecular FormulaC32H39NO4
  • Average mass501.656 Da
  • Monoisotopic mass501.287903 Da
  • ChemSpider ID29416237

  • defined stereocentres - 7 of 7 defined stereocentres

More details:

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

(5α,6β,14β,18R)-17-(Cyclopropylmethyl)-18-[(2R)-2-hydroxy-1-phenyl-2-propanyl]-6-methoxy-18,19-dihydro-4,5-epoxy-6,14-ethenomorphinan-3-ol [German] [ACD/IUPAC Name]
(5α,6β,14β,18R)-17-(Cyclopropylmethyl)-18-[(2R)-2-hydroxy-1-phenyl-2-propanyl]-6-methoxy-18,19-dihydro-4,5-epoxy-6,14-ethenomorphinan-3-ol [ACD/IUPAC Name]
(5α,6β,14β,18R)-17-(Cyclopropylméthyl)-18-[(2R)-2-hydroxy-1-phényl-2-propanyl]-6-méthoxy-18,19-dihydro-4,5-époxy-6,14-éthénomorphinane-3-ol [French] [ACD/IUPAC Name]
6,14-Ethenomorphinan-3-ol, 17-(cyclopropylmethyl)-4,5-epoxy-18,19-dihydro-18-[(1R)-1-hydroxy-1-methyl-2-phenylethyl]-6-methoxy-, (5α,6β,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: 1.676
Molar Refractivity: 142.2±0.4 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 3.81
ACD/LogD (pH 5.5): 1.95
ACD/BCF (pH 5.5): 4.17
ACD/KOC (pH 5.5): 17.40
ACD/LogD (pH 7.4): 3.62
ACD/BCF (pH 7.4): 194.99
ACD/KOC (pH 7.4): 813.32
Polar Surface Area: 62 Å2
Polarizability: 56.4±0.5 10-24cm3
Surface Tension: 65.3±5.0 dyne/cm
Molar Volume: 378.0±5.0 cm3

Click to predict properties on the Chemicalize site


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