ChemSpider 2D Image | Methyl L-alpha-aspartyl-L-threoninate | C9H16N2O6

Methyl L-α-aspartyl-L-threoninate

  • Molecular FormulaC9H16N2O6
  • Average mass248.233 Da
  • Monoisotopic mass248.100830 Da
  • ChemSpider ID18855116

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

22839-48-1 [RN]
L-Threonine, L-α-aspartyl-, methyl ester [ACD/Index Name]
L-α-Aspartyl-L-thréoninate de méthyle [French] [ACD/IUPAC Name]
Methyl L-α-aspartyl-L-threoninate [ACD/IUPAC Name]
Methyl-L-α-asparagyl-L-threoninat [German] [ACD/IUPAC Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 532.5±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.2 mmHg at 25°C
Enthalpy of Vaporization: 93.0±6.0 kJ/mol
Flash Point: 275.8±30.1 °C
Index of Refraction: 1.519
Molar Refractivity: 55.7±0.3 cm3
#H bond acceptors: 8
#H bond donors: 5
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: -1.05
ACD/LogD (pH 5.5): -3.35
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.91
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 139 Å2
Polarizability: 22.1±0.5 10-24cm3
Surface Tension: 58.7±3.0 dyne/cm
Molar Volume: 183.5±3.0 cm3

Click to predict properties on the Chemicalize site


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