ChemSpider 2D Image | S-(4-oxobutan-2-yl)glutathione | C14H23N3O7S

S-(4-oxobutan-2-yl)glutathione

  • Molecular FormulaC14H23N3O7S
  • Average mass377.413 Da
  • Monoisotopic mass377.125671 Da
  • ChemSpider ID58827519

  • defined stereocentres - 2 of 3 defined stereocentres

More details:

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

Glycine, L-γ-glutamyl-S-(1-methyl-3-oxopropyl)-L-cysteinyl- [ACD/Index Name]
L-γ-Glutamyl-S-(4-oxo-2-butanyl)-L-cysteinylglycin [German] [ACD/IUPAC Name]
L-γ-Glutamyl-S-(4-oxo-2-butanyl)-L-cysteinylglycine [ACD/IUPAC Name]
L-γ-Glutamyl-S-(4-oxo-2-butanyl)-L-cystéinylglycine [French] [ACD/IUPAC Name]
S-(4-oxobutan-2-yl)glutathione
butanalglutathione
L-γ-glutamyl-S-(4-oxobutan-2-yl)-L-cysteinylglycine; glutathione-crotonaldehyde conjugate
S-(4-oxobutan-2-yl)glutathioneutanalglutathione

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

Density: 1.4±0.1 g/cm3
Boiling Point: 795.3±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±6.0 mmHg at 25°C
Enthalpy of Vaporization: 125.7±6.0 kJ/mol
Flash Point: 434.8±32.9 °C
Index of Refraction: 1.555
Molar Refractivity: 88.9±0.3 cm3
#H bond acceptors: 10
#H bond donors: 6
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 2
ACD/LogP: -0.75
ACD/LogD (pH 5.5): -4.69
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -4.71
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 201 Å2
Polarizability: 35.2±0.5 10-24cm3
Surface Tension: 62.8±3.0 dyne/cm
Molar Volume: 276.8±3.0 cm3

Click to predict properties on the Chemicalize site


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