ChemSpider 2D Image | S-(2,4-Dinitrophenyl)-N-(5-oxopentanoyl)cysteinylglycine | C16H18N4O9S

S-(2,4-Dinitrophenyl)-N-(5-oxopentanoyl)cysteinylglycine

  • Molecular FormulaC16H18N4O9S
  • Average mass442.401 Da
  • Monoisotopic mass442.079437 Da
  • ChemSpider ID28571235

More details:

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

Glycine, S-(2,4-dinitrophenyl)-N-(1,5-dioxopentyl)cysteinyl- [ACD/Index Name]
S-(2,4-Dinitrophenyl)-N-(5-oxopentanoyl)cysteinylglycin [German] [ACD/IUPAC Name]
S-(2,4-Dinitrophenyl)-N-(5-oxopentanoyl)cysteinylglycine [ACD/IUPAC Name]
S-(2,4-Dinitrophényl)-N-(5-oxopentanoyl)cystéinylglycine [French] [ACD/IUPAC Name]
26289-39-4 [RN]
S-(2,4-Dinitrophenyl)-Glutathione

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

Density: 1.5±0.1 g/cm3
Boiling Point: 819.0±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.1 mmHg at 25°C
Enthalpy of Vaporization: 124.8±3.0 kJ/mol
Flash Point: 449.1±34.3 °C
Index of Refraction: 1.622
Molar Refractivity: 102.6±0.4 cm3
#H bond acceptors: 13
#H bond donors: 3
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 1
ACD/LogP: 1.31
ACD/LogD (pH 5.5): -1.56
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -2.73
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 230 Å2
Polarizability: 40.7±0.5 10-24cm3
Surface Tension: 78.1±5.0 dyne/cm
Molar Volume: 291.5±5.0 cm3

Click to predict properties on the Chemicalize site


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