ChemSpider 2D Image | L-gamma-Glutamyl-S-(2,4,5-trichloro-3,6-dioxo-1,4-cyclohexadien-1-yl)-L-cysteinylglycine | C16H16Cl3N3O8S

L-γ-Glutamyl-S-(2,4,5-trichloro-3,6-dioxo-1,4-cyclohexadien-1-yl)-L-cysteinylglycine

  • Molecular FormulaC16H16Cl3N3O8S
  • Average mass516.737 Da
  • Monoisotopic mass514.972351 Da
  • ChemSpider ID143852
  • 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-(2,4,5-trichloro-3,6-dioxo-1,4-cyclohexadien-1-yl)-L-cysteinyl- [ACD/Index Name]
L-γ-Glutamyl-S-(2,4,5-trichlor-3,6-dioxo-1,4-cyclohexadien-1-yl)-L-cysteinylglycin [German] [ACD/IUPAC Name]
L-γ-Glutamyl-S-(2,4,5-trichloro-3,6-dioxo-1,4-cyclohexadien-1-yl)-L-cysteinylglycine [ACD/IUPAC Name]
L-γ-Glutamyl-S-(2,4,5-trichloro-3,6-dioxo-1,4-cyclohexadién-1-yl)-L-cystéinylglycine [French] [ACD/IUPAC Name]
(2S)-2-AMINO-4-{[(1R)-1-(CARBOXYMETHYLCARBAMOYL)-2-[(2,4,5-TRICHLORO-3,6-DIOXOCYCLOHEXA-1,4-DIEN-1-YL)SULFANYL]ETHYL]CARBAMOYL}BUTANOIC ACID
117383-28-5 [RN]
2-(S-Glutathionyl)-3,5,6-trichloro-1,4-benzoquinone
2,5,6-Trichloro-3-(glutathion-S-yl)-1,4-benzoquinone
2-Gluthionyl-3,5,6-trichloro-1,4-benzoquinone
Glycine, N-(N-L-γ-glutamyl-S-(2,4,5-trichloro-3,6-dioxo-1,4-cyclohexadien-1-yl)-L-cysteinyl)-
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.7±0.1 g/cm3
Boiling Point: 847.6±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 133.7±6.0 kJ/mol
Flash Point: 466.4±34.3 °C
Index of Refraction: 1.646
Molar Refractivity: 110.2±0.4 cm3
#H bond acceptors: 11
#H bond donors: 6
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 3
ACD/LogP: 0.54
ACD/LogD (pH 5.5): -3.36
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.38
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 218 Å2
Polarizability: 43.7±0.5 10-24cm3
Surface Tension: 83.6±5.0 dyne/cm
Molar Volume: 303.6±5.0 cm3

Click to predict properties on the Chemicalize site






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