ChemSpider 2D Image | s-(p-nitrobenzyl)glutathione | C17H22N4O8S

s-(p-nitrobenzyl)glutathione

  • Molecular FormulaC17H22N4O8S
  • Average mass442.444 Da
  • Monoisotopic mass442.115845 Da
  • ChemSpider ID26330081

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

Glycine, L-γ-glutamyl-S-[(4-nitrophenyl)methyl]-D-cysteinyl- [ACD/Index Name]
L-γ-Glutamyl-S-(4-nitrobenzyl)-D-cysteinylglycin [German] [ACD/IUPAC Name]
L-γ-Glutamyl-S-(4-nitrobenzyl)-D-cysteinylglycine [ACD/IUPAC Name]
L-γ-Glutamyl-S-(4-nitrobenzyl)-D-cystéinylglycine [French] [ACD/IUPAC Name]
s-(p-nitrobenzyl)glutathione
(2S)-2-amino-4-{[(1S)-1-[(carboxymethyl)carbamoyl]-2-{[(4-nitrophenyl)methyl]sulfanyl}ethyl]carbamoyl}butanoic acid

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

Density: 1.5±0.1 g/cm3
Boiling Point: 877.1±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 133.5±3.0 kJ/mol
Flash Point: 484.2±34.3 °C
Index of Refraction: 1.618
Molar Refractivity: 105.9±0.3 cm3
#H bond acceptors: 12
#H bond donors: 6
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 2
ACD/LogP: 0.42
ACD/LogD (pH 5.5): -3.72
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.74
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 230 Å2
Polarizability: 42.0±0.5 10-24cm3
Surface Tension: 72.4±3.0 dyne/cm
Molar Volume: 302.2±3.0 cm3

Click to predict properties on the Chemicalize site


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