ChemSpider 2D Image | gamma-Glutamyl-S-[(5alpha,6alpha)-3,6-dihydroxy-17-methyl-7,8-didehydro-4,5-epoxymorphinan-10-yl]cysteinylglycine | C27H34N4O9S

γ-Glutamyl-S-[(5α,6α)-3,6-dihydroxy-17-methyl-7,8-didehydro-4,5-epoxymorphinan-10-yl]cysteinylglycine

  • Molecular FormulaC27H34N4O9S
  • Average mass590.645 Da
  • Monoisotopic mass590.204651 Da
  • ChemSpider ID4590470

  • defined stereocentres - 5 of 8 defined stereocentres

More details:

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

Glycine, γ-glutamyl-S-[(5α,6α)-7,8-didehydro-4,5-epoxy-3,6-dihydroxy-17-methylmorphinan-10-yl]cysteinyl- [ACD/Index Name]
γ-Glutamyl-S-[(5α,6α)-3,6-dihydroxy-17-methyl-7,8-didehydro-4,5-epoxymorphinan-10-yl]cysteinylglycin [German] [ACD/IUPAC Name]
γ-Glutamyl-S-[(5α,6α)-3,6-dihydroxy-17-methyl-7,8-didehydro-4,5-epoxymorphinan-10-yl]cysteinylglycine [ACD/IUPAC Name]
γ-Glutamyl-S-[(5α,6α)-3,6-dihydroxy-17-méthyl-7,8-didéhydro-4,5-époxymorphinane-10-yl]cystéinylglycine [French] [ACD/IUPAC Name]
10-α-S-Glutathionylmorphine
2-AMINO-4-{[1-(CARBOXYMETHYLCARBAMOYL)-2-{[(1S,5S,13R,14S,17R)-10,14-DIHYDROXY-4-METHYL-12-OXA-4-AZAPENTACYCLO[9.6.1.0–,–.0?,–?.0?,–?]OCTADECA-7(18),8,10,15-TETRAEN-6-YL]SULFANYL}ETHYL]CARBAMOYL}BUTANOIC ACID
92780-96-6 [RN]
Glycine, N-(S-((5α,6α,10α)-7,8-didehydro-4,5-epoxy-3,6-dihydroxy-17-methylmorphinan-10-yl)-N-L-γ-glutamyl-L-cysteinyl)-, trans-
Morphine-gsh

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

Density: 1.6±0.1 g/cm3
Boiling Point: 998.2±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 152.5±3.0 kJ/mol
Flash Point: 557.5±34.3 °C
Index of Refraction: 1.712
Molar Refractivity: 146.7±0.4 cm3
#H bond acceptors: 13
#H bond donors: 8
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 3
ACD/LogP: -1.05
ACD/LogD (pH 5.5): -3.87
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -4.16
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 237 Å2
Polarizability: 58.2±0.5 10-24cm3
Surface Tension: 93.5±5.0 dyne/cm
Molar Volume: 374.8±5.0 cm3

Click to predict properties on the Chemicalize site


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