ChemSpider 2D Image | 5-Oxo-L-prolyl-1-(isobutoxycarbonyl)-L-histidyl-L-prolinamide | C21H30N6O6

5-Oxo-L-prolyl-1-(isobutoxycarbonyl)-L-histidyl-L-prolinamide

  • Molecular FormulaC21H30N6O6
  • Average mass462.500 Da
  • Monoisotopic mass462.222687 Da
  • ChemSpider ID77431692

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

5-Oxo-L-prolyl-1-(isobutoxycarbonyl)-L-histidyl-L-prolinamid [German] [ACD/IUPAC Name]
5-Oxo-L-prolyl-1-(isobutoxycarbonyl)-L-histidyl-L-prolinamide [ACD/IUPAC Name]
5-Oxo-L-prolyl-1-(isobutoxycarbonyl)-L-histidyl-L-prolinamide [French] [ACD/IUPAC Name]
L-Prolinamide, 5-oxo-L-prolyl-1-[(2-methylpropoxy)carbonyl]-L-histidyl- [ACD/Index Name]
130817-95-7 [RN]
5-Oxo-L-Pro-1-[(2-methylpropoxy)carbonyl]-L-His-L-Pro-NH2

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

Density: 1.5±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.675
Molar Refractivity: 115.9±0.5 cm3
#H bond acceptors: 12
#H bond donors: 4
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 1
ACD/LogP: -1.36
ACD/LogD (pH 5.5): -0.79
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 8.80
ACD/LogD (pH 7.4): -0.79
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 8.83
Polar Surface Area: 166 Å2
Polarizability: 46.0±0.5 10-24cm3
Surface Tension: 62.7±7.0 dyne/cm
Molar Volume: 308.4±7.0 cm3

Click to predict properties on the Chemicalize site


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