ChemSpider 2D Image | Propyl L-alpha-aspartyl-D-allothreoninate | C11H20N2O6

Propyl L-α-aspartyl-D-allothreoninate

  • Molecular FormulaC11H20N2O6
  • Average mass276.286 Da
  • Monoisotopic mass276.132141 Da
  • ChemSpider ID58131874

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

D-Allothreonine, L-α-aspartyl-, propyl ester [ACD/Index Name]
L-α-Aspartyl-D-allothréoninate de propyle [French] [ACD/IUPAC Name]
Propyl L-α-aspartyl-D-allothreoninate [ACD/IUPAC Name]
Propyl-L-α-asparagyl-D-allothreoninat [German] [ACD/IUPAC Name]
53022-03-0 [RN]
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL3350731/

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

Density: 1.3±0.1 g/cm3
Boiling Point: 537.6±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.2 mmHg at 25°C
Enthalpy of Vaporization: 93.7±6.0 kJ/mol
Flash Point: 278.9±30.1 °C
Index of Refraction: 1.512
Molar Refractivity: 64.9±0.3 cm3
#H bond acceptors: 8
#H bond donors: 5
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 1
ACD/LogP: 0.01
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): -3.21
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 139 Å2
Polarizability: 25.7±0.5 10-24cm3
Surface Tension: 54.2±3.0 dyne/cm
Molar Volume: 216.5±3.0 cm3

Click to predict properties on the Chemicalize site


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