ChemSpider 2D Image | S-HYDROXYMETHYL GLUTATHIONE | C11H19N3O7S

S-HYDROXYMETHYL GLUTATHIONE

  • Molecular FormulaC11H19N3O7S
  • Average mass337.349 Da
  • Monoisotopic mass337.094360 Da
  • ChemSpider ID26330219

  • 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-(hydroxymethyl)-D-cysteinyl- [ACD/Index Name]
L-γ-Glutamyl-S-(hydroxymethyl)-D-cysteinylglycin [German] [ACD/IUPAC Name]
L-γ-Glutamyl-S-(hydroxymethyl)-D-cysteinylglycine [ACD/IUPAC Name]
L-γ-Glutamyl-S-(hydroxyméthyl)-D-cystéinylglycine [French] [ACD/IUPAC Name]
S-HYDROXYMETHYL GLUTATHIONE
(2S)-2-amino-4-{[(1S)-1-[(carboxymethyl)carbamoyl]-2-[(hydroxymethyl)sulfanyl]ethyl]carbamoyl}butanoic acid

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

Density: 1.5±0.1 g/cm3
Boiling Point: 810.6±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±6.6 mmHg at 25°C
Enthalpy of Vaporization: 134.2±6.0 kJ/mol
Flash Point: 444.0±34.3 °C
Index of Refraction: 1.587
Molar Refractivity: 76.4±0.3 cm3
#H bond acceptors: 10
#H bond donors: 7
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 2
ACD/LogP: -1.44
ACD/LogD (pH 5.5): -5.36
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -5.38
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 204 Å2
Polarizability: 30.3±0.5 10-24cm3
Surface Tension: 76.0±3.0 dyne/cm
Molar Volume: 227.1±3.0 cm3

Click to predict properties on the Chemicalize site


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