ChemSpider 2D Image | S-(N-HYDROXY-N-BROMOPHENYLCARBAMOYL)GLUTATHIONE | C17H23BrN4O8S

S-(N-HYDROXY-N-BROMOPHENYLCARBAMOYL)GLUTATHIONE

  • Molecular FormulaC17H23BrN4O8S
  • Average mass523.356 Da
  • Monoisotopic mass522.041992 Da
  • ChemSpider ID26330138

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

Glycine, L-γ-glutamyl-S-[(S)-[(4-bromophenyl)hydroxyamino]hydroxymethyl]-D-cysteinyl- [ACD/Index Name]
L-γ-Glutamyl-S-[(S)-[(4-bromophenyl)(hydroxy)amino](hydroxy)methyl]-D-cysteinylglycine [ACD/IUPAC Name]
L-γ-Glutamyl-S-[(S)-[(4-bromophényl)(hydroxy)amino](hydroxy)méthyl]-D-cystéinylglycine [French] [ACD/IUPAC Name]
L-γ-Glutamyl-S-[(S)-[(4-bromphenyl)(hydroxy)amino](hydroxy)methyl]-D-cysteinylglycin [German] [ACD/IUPAC Name]
S-(N-HYDROXY-N-BROMOPHENYLCARBAMOYL)GLUTATHIONE
(2S)-2-amino-4-{[(1S)-2-{[(S)-[(4-bromophenyl)(hydroxy)amino](hydroxy)methyl]sulfanyl}-1-(carboxymethylcarbamoyl)ethyl]carbamoyl}butanoic acid
(2S)-2-amino-4-{[(1S)-2-{[(S)-[(4-bromophenyl)(hydroxy)amino](hydroxy)methyl]sulfanyl}-1-[(carboxymethyl)carbamoyl]ethyl]carbamoyl}butanoic acid

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

Density: 1.7±0.1 g/cm3
Boiling Point: 911.6±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 138.9±3.0 kJ/mol
Flash Point: 505.1±34.3 °C
Index of Refraction: 1.671
Molar Refractivity: 114.8±0.3 cm3
#H bond acceptors: 12
#H bond donors: 8
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 3
ACD/LogP: 2.20
ACD/LogD (pH 5.5): -3.29
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -4.07
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 228 Å2
Polarizability: 45.5±0.5 10-24cm3
Surface Tension: 85.1±3.0 dyne/cm
Molar Volume: 307.1±3.0 cm3

Click to predict properties on the Chemicalize site


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