ChemSpider 2D Image | L-gamma-Glutamyl-S-(3-iodobenzyl)-L-cysteinylglycine | C17H22IN3O6S

L-γ-Glutamyl-S-(3-iodobenzyl)-L-cysteinylglycine

  • Molecular FormulaC17H22IN3O6S
  • Average mass523.343 Da
  • Monoisotopic mass523.027405 Da
  • ChemSpider ID395901

  • 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-[(3-iodophenyl)methyl]-L-cysteinyl- [ACD/Index Name]
L-γ-Glutamyl-S-(3-iodbenzyl)-L-cysteinylglycin [German] [ACD/IUPAC Name]
L-γ-Glutamyl-S-(3-iodobenzyl)-L-cysteinylglycine [ACD/IUPAC Name]
L-γ-Glutamyl-S-(3-iodobenzyl)-L-cystéinylglycine [French] [ACD/IUPAC Name]
1,2-HYDRO-1-OXY-3,4-HYDRO-3-(1-METHOXY-2-OXY-3,4-DIHYDROXYPENTYL)-8,9-DIHYDROXY-7-(SEC-BUTYL)-ANTHRACENE
GBI
S-(3-Iodobenzyl)glutathione

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

DXA [DBID]

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

Density: 1.7±0.1 g/cm3
Boiling Point: 848.3±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.3 mmHg at 25°C
Enthalpy of Vaporization: 129.2±3.0 kJ/mol
Flash Point: 466.9±34.3 °C
Index of Refraction: 1.638
Molar Refractivity: 112.2±0.3 cm3
#H bond acceptors: 9
#H bond donors: 6
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 2
ACD/LogP: 1.73
ACD/LogD (pH 5.5): -2.69
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -2.71
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 184 Å2
Polarizability: 44.5±0.5 10-24cm3
Surface Tension: 69.4±3.0 dyne/cm
Molar Volume: 312.4±3.0 cm3

Click to predict properties on the Chemicalize site


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