ChemSpider 2D Image | N-(~2~H_3_)Ethanoylcysteine | C5H6D3NO3S

N-(2H3)Ethanoylcysteine

  • Molecular FormulaC5H6D3NO3S
  • Average mass166.213 Da
  • Monoisotopic mass166.049149 Da
  • ChemSpider ID23976865

  • Non-standard isotope - Non-standard isotope

More details:

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

Cysteine, N-(1-oxoethyl-2,2,2-d3)- [ACD/Index Name]
N-(2H3)Ethanoylcystein [German] [ACD/IUPAC Name]
N-(2H3)Ethanoylcysteine [ACD/IUPAC Name]
N-(2H3)Éthanoylcystéine [French] [ACD/IUPAC Name]
131685-11-5 [RN]
N-Acetyl-d3-L-cysteine

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

Density: 1.3±0.1 g/cm3
Boiling Point: 407.7±40.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 72.4±6.0 kJ/mol
Flash Point: 200.4±27.3 °C
Index of Refraction: 1.519
Molar Refractivity: 38.3±0.3 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: -0.15
ACD/LogD (pH 5.5): -2.66
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.70
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 105 Å2
Polarizability: 15.2±0.5 10-24cm3
Surface Tension: 50.0±3.0 dyne/cm
Molar Volume: 126.1±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement