Found 4 results

Search term: CXWPLQYKHLCSPO (Found by InChIKey (skeleton match))
ChemSpider 2D Image | Methyl N-acetylalanyl-D-alaninate | C9H16N2O4

Methyl N-acetylalanyl-D-alaninate

  • Molecular FormulaC9H16N2O4
  • Average mass216.234 Da
  • Monoisotopic mass216.111008 Da
  • ChemSpider ID78964060

  • defined stereocentres - 1 of 2 defined stereocentres

More details:

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

D-Alanine, N-acetylalanyl-, methyl ester [ACD/Index Name]
Methyl N-acetylalanyl-D-alaninate [ACD/IUPAC Name]
Methyl-N-acetylalanyl-D-alaninat [German] [ACD/IUPAC Name]
N-Acétylalanyl-D-alaninate de méthyle [French] [ACD/IUPAC Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 432.9±25.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 68.9±3.0 kJ/mol
Flash Point: 215.6±23.2 °C
Index of Refraction: 1.458
Molar Refractivity: 52.7±0.3 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: -0.57
ACD/LogD (pH 5.5): -0.57
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 11.66
ACD/LogD (pH 7.4): -0.57
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 11.66
Polar Surface Area: 85 Å2
Polarizability: 20.9±0.5 10-24cm3
Surface Tension: 36.8±3.0 dyne/cm
Molar Volume: 193.2±3.0 cm3

Click to predict properties on the Chemicalize site


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