ChemSpider 2D Image | L-gamma-Glutamyl-S-[(5alpha,8alpha)-3-hydroxy-17-methyl-6-oxo-4,5-epoxymorphinan-8-yl]-L-cysteinylglycine | C27H34N4O9S

L-γ-Glutamyl-S-[(5α,8α)-3-hydroxy-17-methyl-6-oxo-4,5-epoxymorphinan-8-yl]-L-cysteinylglycine

  • Molecular FormulaC27H34N4O9S
  • Average mass590.645 Da
  • Monoisotopic mass590.204651 Da
  • ChemSpider ID4589614

  • defined stereocentres - 7 of 7 defined stereocentres

More details:

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

Glycine, L-γ-glutamyl-S-[(5α,8α)-4,5-epoxy-3-hydroxy-17-methyl-6-oxomorphinan-8-yl]-L-cysteinyl- [ACD/Index Name]
L-γ-Glutamyl-S-[(5α,8α)-3-hydroxy-17-methyl-6-oxo-4,5-epoxymorphinan-8-yl]-L-cysteinylglycin [German] [ACD/IUPAC Name]
L-γ-Glutamyl-S-[(5α,8α)-3-hydroxy-17-methyl-6-oxo-4,5-epoxymorphinan-8-yl]-L-cysteinylglycine [ACD/IUPAC Name]
L-γ-Glutamyl-S-[(5α,8α)-3-hydroxy-17-méthyl-6-oxo-4,5-époxymorphinane-8-yl]-L-cystéinylglycine [French] [ACD/IUPAC Name]
(Glutathion-S-yl)dihydromorphinone
119995-15-2 [RN]
Dihydromorphinone-glutathione adduct
Glycine, N-(S-((5α,8β)-4,5-epoxy-3-hydroxy-17-methyl-6-oxomorphinan-8-yl)-N-L-γ-glutamyl-L-cysteinyl)-
SG-Dhmo

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

Density: 1.6±0.1 g/cm3
Boiling Point: 994.5±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 151.9±3.0 kJ/mol
Flash Point: 555.2±34.3 °C
Index of Refraction: 1.690
Molar Refractivity: 145.4±0.4 cm3
#H bond acceptors: 13
#H bond donors: 7
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 3
ACD/LogP: -0.20
ACD/LogD (pH 5.5): -3.17
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.27
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 234 Å2
Polarizability: 57.7±0.5 10-24cm3
Surface Tension: 88.9±5.0 dyne/cm
Molar Volume: 380.4±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement