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Search term: FXEUKVKGTKDDIQ-VHSXEESVSA-N (Found by InChIKey (full match))
ChemSpider 2D Image | Glutathione S-(2,4 Dinitrobenzene) | C16H19N5O10S

Glutathione S-(2,4 Dinitrobenzene)

  • Molecular FormulaC16H19N5O10S
  • Average mass473.415 Da
  • Monoisotopic mass473.085266 Da
  • ChemSpider ID23273021

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

Glutathione S-(2,4 Dinitrobenzene)
Glycine, L-γ-glutamyl-S-(2,4-dinitrophenyl)-D-cysteinyl- [ACD/Index Name]
L-γ-Glutamyl-S-(2,4-dinitrophenyl)-D-cysteinylglycin [German] [ACD/IUPAC Name]
L-γ-Glutamyl-S-(2,4-dinitrophenyl)-D-cysteinylglycine [ACD/IUPAC Name]
L-γ-Glutamyl-S-(2,4-dinitrophényl)-D-cystéinylglycine [French] [ACD/IUPAC Name]
(2S)-2-amino-4-{[(1S)-1-(carboxymethylcarbamoyl)-2-[(2,4-dinitrophenyl)sulfanyl]ethyl]carbamoyl}butanoic acid
(2S)-2-amino-4-{[(1S)-1-[(carboxymethyl)carbamoyl]-2-[(2,4-dinitrophenyl)sulfanyl]ethyl]carbamoyl}butanoic acid
(S)-2-amino-5-((S)-1-(carboxymethylamino)-3-(2,4-dinitrophenylthio)-1-oxopropan-2-ylamino)-5-oxopentanoic acid
26289-39-4 [RN]

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

Density: 1.6±0.1 g/cm3
Boiling Point: 895.1±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 136.3±3.0 kJ/mol
Flash Point: 495.1±34.3 °C
Index of Refraction: 1.656
Molar Refractivity: 107.6±0.4 cm3
#H bond acceptors: 15
#H bond donors: 6
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 2
ACD/LogP: 0.65
ACD/LogD (pH 5.5): -3.76
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.78
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 276 Å2
Polarizability: 42.6±0.5 10-24cm3
Surface Tension: 92.5±5.0 dyne/cm
Molar Volume: 292.7±5.0 cm3

Click to predict properties on the Chemicalize site


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