ChemSpider 2D Image | (5alpha,6beta,14beta,18S)-17-(Cyclopropylmethyl)-3,6-dihydroxy-N-methyl-N-(2-phenylethyl)-7,8-didehydro-18,19-dihydro-4,5-epoxy-6,14-ethenomorphinan-18-carboxamide | C32H36N2O4

(5α,6β,14β,18S)-17-(Cyclopropylmethyl)-3,6-dihydroxy-N-methyl-N-(2-phenylethyl)-7,8-didehydro-18,19-dihydro-4,5-epoxy-6,14-ethenomorphinan-18-carboxamide

  • Molecular FormulaC32H36N2O4
  • Average mass512.639 Da
  • Monoisotopic mass512.267517 Da
  • ChemSpider ID25032059

  • defined stereocentres - 6 of 6 defined stereocentres

More details:

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

(5α,6β,14β,18S)-17-(Cyclopropylmethyl)-3,6-dihydroxy-N-methyl-N-(2-phenylethyl)-7,8-didehydro-18,19-dihydro-4,5-epoxy-6,14-ethenomorphinan-18-carboxamid [German] [ACD/IUPAC Name]
(5α,6β,14β,18S)-17-(Cyclopropylmethyl)-3,6-dihydroxy-N-methyl-N-(2-phenylethyl)-7,8-didehydro-18,19-dihydro-4,5-epoxy-6,14-ethenomorphinan-18-carboxamide [ACD/IUPAC Name]
(5α,6β,14β,18S)-17-(Cyclopropylméthyl)-3,6-dihydroxy-N-méthyl-N-(2-phényléthyl)-7,8-didéhydro-18,19-dihydro-4,5-époxy-6,14-éthénomorphinane-18-carboxamide [French] [ACD/IUPAC Name]
6,14-Ethenomorphinan-18-carboxamide, 17-(cyclopropylmethyl)-7,8-didehydro-4,5-epoxy-18,19-dihydro-3,6-dihydroxy-N-methyl-N-(2-phenylethyl)-, (5α,6β,14β,18S)- [ACD/Index Name]
TAN-821

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

Density: 1.4±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.714
Molar Refractivity: 144.3±0.4 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 2.94
ACD/LogD (pH 5.5): 1.34
ACD/BCF (pH 5.5): 2.02
ACD/KOC (pH 5.5): 15.30
ACD/LogD (pH 7.4): 2.98
ACD/BCF (pH 7.4): 87.78
ACD/KOC (pH 7.4): 664.48
Polar Surface Area: 73 Å2
Polarizability: 57.2±0.5 10-24cm3
Surface Tension: 73.4±5.0 dyne/cm
Molar Volume: 367.9±5.0 cm3

Click to predict properties on the Chemicalize site


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