ChemSpider 2D Image | Methyl N-{[(2R,3S)-3-(propylcarbamoyl)-2-oxiranyl]carbonyl}-L-isoleucyl-D-prolinate | C19H31N3O6

Methyl N-{[(2R,3S)-3-(propylcarbamoyl)-2-oxiranyl]carbonyl}-L-isoleucyl-D-prolinate

  • Molecular FormulaC19H31N3O6
  • Average mass397.466 Da
  • Monoisotopic mass397.221283 Da
  • ChemSpider ID58131921

  • defined stereocentres - 4 of 5 defined stereocentres

More details:

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

D-Proline, N-[[(2R,3S)-3-[(propylamino)carbonyl]oxiranyl]carbonyl]-L-isoleucyl-, methyl ester [ACD/Index Name]
Methyl N-{[(2R,3S)-3-(propylcarbamoyl)-2-oxiranyl]carbonyl}-L-isoleucyl-D-prolinate [ACD/IUPAC Name]
Methyl-N-{[(2R,3S)-3-(propylcarbamoyl)-2-oxiranyl]carbonyl}-L-isoleucyl-D-prolinat [German] [ACD/IUPAC Name]
N-{[(2R,3S)-3-(Propylcarbamoyl)-2-oxiranyl]carbonyl}-L-isoleucyl-D-prolinate de méthyle [French] [ACD/IUPAC Name]
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL3348989/

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

Density: 1.2±0.1 g/cm3
Boiling Point: 666.3±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 98.0±3.0 kJ/mol
Flash Point: 356.8±31.5 °C
Index of Refraction: 1.520
Molar Refractivity: 99.6±0.3 cm3
#H bond acceptors: 9
#H bond donors: 2
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 0
ACD/LogP: 0.39
ACD/LogD (pH 5.5): 0.43
ACD/BCF (pH 5.5): 1.24
ACD/KOC (pH 5.5): 40.59
ACD/LogD (pH 7.4): 0.43
ACD/BCF (pH 7.4): 1.24
ACD/KOC (pH 7.4): 40.59
Polar Surface Area: 117 Å2
Polarizability: 39.5±0.5 10-24cm3
Surface Tension: 48.7±3.0 dyne/cm
Molar Volume: 327.8±3.0 cm3

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