ChemSpider 2D Image | S-(N-HYDROXY-N-IODOPHENYLCARBAMOYL)GLUTATHIONE | C17H23IN4O8S

S-(N-HYDROXY-N-IODOPHENYLCARBAMOYL)GLUTATHIONE

  • Molecular FormulaC17H23IN4O8S
  • Average mass570.356 Da
  • Monoisotopic mass570.028137 Da
  • ChemSpider ID26329972
  • 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)-hydroxy[hydroxy(4-iodophenyl)amino]methyl]-D-cysteinyl- [ACD/Index Name]
L-γ-Glutamyl-S-{(S)-hydroxy[hydroxy(4-iodophenyl)amino]methyl}-D-cysteinylglycine [ACD/IUPAC Name]
L-γ-Glutamyl-S-{(S)-hydroxy[hydroxy(4-iodophényl)amino]méthyl}-D-cystéinylglycine [French] [ACD/IUPAC Name]
L-γ-Glutamyl-S-{(S)-hydroxy[hydroxy(4-iodphenyl)amino]methyl}-D-cysteinylglycin [German] [ACD/IUPAC Name]
S-(N-HYDROXY-N-IODOPHENYLCARBAMOYL)GLUTATHIONE
(2S)-2-amino-4-{[(1S)-1-(carboxymethylcarbamoyl)-2-{[(S)-hydroxy[hydroxy(4-iodophenyl)amino]methyl]sulfanyl}ethyl]carbamoyl}butanoic acid
(2S)-2-amino-4-{[(1S)-1-[(carboxymethyl)carbamoyl]-2-{[(S)-hydroxy[hydroxy(4-iodophenyl)amino]methyl]sulfanyl}ethyl]carbamoyl}butanoic acid

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.8±0.1 g/cm3
Boiling Point: 918.6±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 139.9±3.0 kJ/mol
Flash Point: 509.3±34.3 °C
Index of Refraction: 1.693
Molar Refractivity: 120.0±0.3 cm3
#H bond acceptors: 12
#H bond donors: 8
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 3
ACD/LogP: 2.46
ACD/LogD (pH 5.5): -2.87
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.63
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 228 Å2
Polarizability: 47.6±0.5 10-24cm3
Surface Tension: 87.8±3.0 dyne/cm
Molar Volume: 313.0±3.0 cm3

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