ChemSpider 2D Image | N-(~2~H_3_)Ethanoyl-L-(2,3-~2~H_2_)threonine | C6H6D5NO4

N-(2H3)Ethanoyl-L-(2,3-2H2)threonine

  • Molecular FormulaC6H6D5NO4
  • Average mass166.187 Da
  • Monoisotopic mass166.100189 Da
  • ChemSpider ID24533013

  • defined stereocentres - 2 of 2 defined stereocentres

    Non-standard isotope - Non-standard isotope

More details:

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

L-Threonine-2,3-d2, N-(1-oxoethyl-2,2,2-d3)- [ACD/Index Name]
N-(2H3)Ethanoyl-L-(2,3-2H2)threonin [German] [ACD/IUPAC Name]
N-(2H3)Ethanoyl-L-(2,3-2H2)threonine [ACD/IUPAC Name]
N-(2H3)Éthanoyl-L-(2,3-2H2)thréonine [French] [ACD/IUPAC Name]
Ac-L-Thr-OH
N-Acetyl-d3-L-threonine-2,3-d2

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

Density: 1.3±0.1 g/cm3
Boiling Point: 443.3±40.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 80.9±6.0 kJ/mol
Flash Point: 221.9±27.3 °C
Index of Refraction: 1.489
Molar Refractivity: 36.5±0.3 cm3
#H bond acceptors: 5
#H bond donors: 3
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: -1.55
ACD/LogD (pH 5.5): -3.72
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -4.90
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 87 Å2
Polarizability: 14.5±0.5 10-24cm3
Surface Tension: 50.6±3.0 dyne/cm
Molar Volume: 126.4±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement