ChemSpider 2D Image | (5alpha,6beta,14beta,15S,18R)-17-(Cyclopropylmethyl)-18-[(2R)-2-hydroxy-3,3-dimethyl-2-butanyl]-6-methoxy(15,16-~3~H_2_)-18,19-dihydro-4,5-epoxy-6,14-ethenomorphinan-3-ol | C29H39T2NO4

(5α,6β,14β,15S,18R)-17-(Cyclopropylmethyl)-18-[(2R)-2-hydroxy-3,3-dimethyl-2-butanyl]-6-methoxy(15,16-3H2)-18,19-dihydro-4,5-epoxy-6,14-ethenomorphinan-3-ol

  • Molecular FormulaC29H39T2NO4
  • Average mass471.656 Da
  • Monoisotopic mass471.320007 Da
  • ChemSpider ID8249051

  • defined stereocentres - 6 of 7 defined stereocentres

    Non-standard isotope - Non-standard isotope

More details:

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

(5α,6β,14β,15S,18R)-17-(Cyclopropylmethyl)-18-[(2R)-2-hydroxy-3,3-dimethyl-2-butanyl]-6-methoxy(15,16-3H2)-18,19-dihydro-4,5-epoxy-6,14-ethenomorphinan-3-ol [ACD/IUPAC Name]
(5α,6β,14β,15S,18R)-17-(Cyclopropylmethyl)-18-[(2R)-2-hydroxy-3,3-dimethyl-2-butanyl]-6-methoxy(15,16-3H2)-18,19-dihydro-4,5-epoxy-6,14-ethenomorphinan-3-ol [German] [ACD/IUPAC Name]
(5α,6β,14β,15S,18R)-17-(Cyclopropylméthyl)-18-[(2R)-2-hydroxy-3,3-diméthyl-2-butanyl]-6-méthoxy(15,16-3H2)-18,19-dihydro-4,5-époxy-6,14-éthénomorphinane-3-ol [French] [ACD/IUPAC Name]
6,14-Ethenomorphinan-15,16-t2-3-ol, 17-(cyclopropylmethyl)-4,5-epoxy-18,19-dihydro-18-[(1R)-1-hydroxy-1,2,2-trimethylpropyl]-6-methoxy-, (5α,6β,14β,15S,18R)- [ACD/Index Name]

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

Density:
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 3.43
ACD/LogD (pH 5.5): 1.82
ACD/BCF (pH 5.5): 3.30
ACD/KOC (pH 5.5): 14.59
ACD/LogD (pH 7.4): 3.48
ACD/BCF (pH 7.4): 152.71
ACD/KOC (pH 7.4): 674.47
Polar Surface Area: 62 Å2
Polarizability:
Surface Tension:
Molar Volume:

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