ChemSpider 2D Image | 2-[(N-Acetylcysteinyl)oxy]propanoic acid | C8H13NO5S

2-[(N-Acetylcysteinyl)oxy]propanoic acid

  • Molecular FormulaC8H13NO5S
  • Average mass235.258 Da
  • Monoisotopic mass235.051437 Da
  • ChemSpider ID64883259

More details:

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

2-[(N-Acetylcysteinyl)oxy]propanoic acid [ACD/IUPAC Name]
2-[(N-Acetylcysteinyl)oxy]propansäure [German] [ACD/IUPAC Name]
Acide 2-[(N-acétylcystéinyl)oxy]propanoïque [French] [ACD/IUPAC Name]
Cysteine, N-acetyl-, 1-carboxyethyl ester [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 477.9±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.6 mmHg at 25°C
Enthalpy of Vaporization: 81.3±6.0 kJ/mol
Flash Point: 242.8±28.7 °C
Index of Refraction: 1.513
Molar Refractivity: 53.9±0.3 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 0.46
ACD/LogD (pH 5.5): -2.63
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.45
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 132 Å2
Polarizability: 21.4±0.5 10-24cm3
Surface Tension: 49.8±3.0 dyne/cm
Molar Volume: 179.4±3.0 cm3

Click to predict properties on the Chemicalize site


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