ChemSpider 2D Image | L-gamma-Glutamyl-S-(2,4,6-trinitro-2,5-cyclohexadien-1-yl)-L-cysteinylglycine | C16H20N6O12S

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

  • Molecular FormulaC16H20N6O12S
  • Average mass520.428 Da
  • Monoisotopic mass520.085999 Da
  • ChemSpider ID4450654

  • defined stereocentres - 2 of 4 defined stereocentres

More details:

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

Glycine, L-γ-glutamyl-S-(2,4,6-trinitro-2,5-cyclohexadien-1-yl)-L-cysteinyl- [ACD/Index Name]
L-γ-Glutamyl-S-(2,4,6-trinitro-2,5-cyclohexadien-1-yl)-L-cysteinylglycin [German] [ACD/IUPAC Name]
L-γ-Glutamyl-S-(2,4,6-trinitro-2,5-cyclohexadien-1-yl)-L-cysteinylglycine [ACD/IUPAC Name]
L-γ-Glutamyl-S-(2,4,6-trinitro-2,5-cyclohexadién-1-yl)-L-cystéinylglycine [French] [ACD/IUPAC Name]
1-(S-GLUTATHIONYL)-2,4,6-TRINITROCYCLOHEXA-2,5-DIENE
GTD

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

Density: 1.7±0.1 g/cm3
Boiling Point: 1040.3±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 164.8±6.0 kJ/mol
Flash Point: 583.0±34.3 °C
Index of Refraction: 1.651
Molar Refractivity: 114.0±0.4 cm3
#H bond acceptors: 18
#H bond donors: 6
#Freely Rotating Bonds: 14
#Rule of 5 Violations: 3
ACD/LogP: -0.71
ACD/LogD (pH 5.5): -5.78
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -5.80
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 322 Å2
Polarizability: 45.2±0.5 10-24cm3
Surface Tension: 93.8±5.0 dyne/cm
Molar Volume: 312.0±5.0 cm3

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