ChemSpider 2D Image | N-(4-Carboxy-4-oxobutanoyl)-L-cysteinylglycine | C10H14N2O7S

N-(4-Carboxy-4-oxobutanoyl)-L-cysteinylglycine

  • Molecular FormulaC10H14N2O7S
  • Average mass306.292 Da
  • Monoisotopic mass306.052185 Da
  • ChemSpider ID35033962
  • defined stereocentres - 1 of 1 defined stereocentres


More details:






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

Glycine, N-(4-carboxy-1,4-dioxobutyl)-L-cysteinyl- [ACD/Index Name]
N-(4-Carboxy-4-oxobutanoyl)-L-cysteinylglycin [German] [ACD/IUPAC Name]
N-(4-Carboxy-4-oxobutanoyl)-L-cysteinylglycine [ACD/IUPAC Name]
N-(4-Carboxy-4-oxobutanoyl)-L-cystéinylglycine [French] [ACD/IUPAC Name]
deaminated glutathione
https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:138934
KGT
N-(4-oxoglutaryl)-L-cysteinylglycine
γ-(4-oxoglutaryl)-L-cysteinylglycine

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

Density: 1.5±0.1 g/cm3
Boiling Point: 726.2±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.1 mmHg at 25°C
Enthalpy of Vaporization: 115.4±6.0 kJ/mol
Flash Point: 393.0±32.9 °C
Index of Refraction: 1.559
Molar Refractivity: 66.6±0.3 cm3
#H bond acceptors: 9
#H bond donors: 4
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 0
ACD/LogP: -1.51
ACD/LogD (pH 5.5): -6.03
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -6.11
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 189 Å2
Polarizability: 26.4±0.5 10-24cm3
Surface Tension: 68.7±3.0 dyne/cm
Molar Volume: 206.3±3.0 cm3

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