ChemSpider 2D Image | Benzyl N~5~-[(benzyloxy)carbonyl]-N~2~-{[(2-methyl-2-propanyl)oxy]carbonyl}-D-ornithyl-3-(2-naphthyl)-L-alanyl-D-prolinate | C43H50N4O8

Benzyl N5-[(benzyloxy)carbonyl]-N2-{[(2-methyl-2-propanyl)oxy]carbonyl}-D-ornithyl-3-(2-naphthyl)-L-alanyl-D-prolinate

  • Molecular FormulaC43H50N4O8
  • Average mass750.879 Da
  • Monoisotopic mass750.362854 Da
  • ChemSpider ID8525573

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

Benzyl N5-[(benzyloxy)carbonyl]-N2-{[(2-methyl-2-propanyl)oxy]carbonyl}-D-ornithyl-3-(2-naphthyl)-L-alanyl-D-prolinate [ACD/IUPAC Name]
Benzyl-N5-[(benzyloxy)carbonyl]-N2-{[(2-methyl-2-propanyl)oxy]carbonyl}-D-ornithyl-3-(2-naphthyl)-L-alanyl-D-prolinat [German] [ACD/IUPAC Name]
D-Proline, N2-[(1,1-dimethylethoxy)carbonyl]-N5-[(phenylmethoxy)carbonyl]-D-ornithyl-3-(2-naphthalenyl)-L-alanyl-, phenylmethyl ester [ACD/Index Name]
N5-[(Benzyloxy)carbonyl]-N2-{[(2-méthyl-2-propanyl)oxy]carbonyl}-D-ornithyl-3-(2-naphtyl)-L-alanyl-D-prolinate de benzyle [French] [ACD/IUPAC Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 950.6±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 138.5±3.0 kJ/mol
Flash Point: 528.7±34.3 °C
Index of Refraction: 1.596
Molar Refractivity: 207.9±0.3 cm3
#H bond acceptors: 12
#H bond donors: 3
#Freely Rotating Bonds: 19
#Rule of 5 Violations: 3
ACD/LogP: 8.25
ACD/LogD (pH 5.5): 6.66
ACD/BCF (pH 5.5): 68512.77
ACD/KOC (pH 5.5): 100698.98
ACD/LogD (pH 7.4): 6.66
ACD/BCF (pH 7.4): 68492.32
ACD/KOC (pH 7.4): 100668.91
Polar Surface Area: 152 Å2
Polarizability: 82.4±0.5 10-24cm3
Surface Tension: 54.1±3.0 dyne/cm
Molar Volume: 610.8±3.0 cm3

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