ChemSpider 2D Image | L-gamma-Glutamyl-S-octylcysteinylglycine | C18H33N3O6S

L-γ-Glutamyl-S-octylcysteinylglycine

  • Molecular FormulaC18H33N3O6S
  • Average mass419.536 Da
  • Monoisotopic mass419.209015 Da
  • ChemSpider ID23127560

  • defined stereocentres - 1 of 2 defined stereocentres

More details:

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

Glycine, L-γ-glutamyl-S-octylcysteinyl- [ACD/Index Name]
L-γ-Glutamyl-S-octylcysteinylglycin [German] [ACD/IUPAC Name]
L-γ-Glutamyl-S-octylcysteinylglycine [ACD/IUPAC Name]
L-γ-Glutamyl-S-octylcystéinylglycine [French] [ACD/IUPAC Name]
2-Amino-4-[1-(carboxymethyl-carbamoyl)-2-octylsulfanyl-ethylcarbamoyl]-butyric acid
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL281309/
S-Octylglutathione

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

Density: 1.2±0.1 g/cm3
Boiling Point: 752.1±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.4 mmHg at 25°C
Enthalpy of Vaporization: 119.3±6.0 kJ/mol
Flash Point: 408.7±32.9 °C
Index of Refraction: 1.534
Molar Refractivity: 107.3±0.3 cm3
#H bond acceptors: 9
#H bond donors: 6
#Freely Rotating Bonds: 17
#Rule of 5 Violations: 1
ACD/LogP: 2.81
ACD/LogD (pH 5.5): -1.53
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -1.55
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 184 Å2
Polarizability: 42.5±0.5 10-24cm3
Surface Tension: 53.2±3.0 dyne/cm
Molar Volume: 345.2±3.0 cm3

Click to predict properties on the Chemicalize site


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