ChemSpider 2D Image | 5-Oxo-D-prolyl-D-alaninamide | C8H13N3O3

5-Oxo-D-prolyl-D-alaninamide

  • Molecular FormulaC8H13N3O3
  • Average mass199.207 Da
  • Monoisotopic mass199.095688 Da
  • ChemSpider ID60982347

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

5-Oxo-D-prolyl-D-alaninamid [German] [ACD/IUPAC Name]
5-Oxo-D-prolyl-D-alaninamide [ACD/IUPAC Name]
5-Oxo-D-prolyl-D-alaninamide [French] [ACD/IUPAC Name]
D-Alaninamide, 5-oxo-D-prolyl- [ACD/Index Name]
1841589-92-1 [RN]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 643.4±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 94.9±3.0 kJ/mol
Flash Point: 342.9±31.5 °C
Index of Refraction: 1.523
Molar Refractivity: 47.5±0.3 cm3
#H bond acceptors: 6
#H bond donors: 4
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: -2.53
ACD/LogD (pH 5.5): -1.88
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 2.25
ACD/LogD (pH 7.4): -1.88
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 2.25
Polar Surface Area: 101 Å2
Polarizability: 18.8±0.5 10-24cm3
Surface Tension: 52.5±3.0 dyne/cm
Molar Volume: 155.5±3.0 cm3

Click to predict properties on the Chemicalize site


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