ChemSpider 2D Image | Benzyl 3-hydroxy-1-{[(2-methyl-2-propanyl)oxy]carbonyl}-L-prolyl-D-valyl-L-leucinate | C28H43N3O7

Benzyl 3-hydroxy-1-{[(2-methyl-2-propanyl)oxy]carbonyl}-L-prolyl-D-valyl-L-leucinate

  • Molecular FormulaC28H43N3O7
  • Average mass533.657 Da
  • Monoisotopic mass533.310120 Da
  • ChemSpider ID8801492

  • defined stereocentres - 3 of 4 defined stereocentres

More details:

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

3-Hydroxy-1-{[(2-méthyl-2-propanyl)oxy]carbonyl}-L-prolyl-D-valyl-L-leucinate de benzyle [French] [ACD/IUPAC Name]
Benzyl 3-hydroxy-1-{[(2-methyl-2-propanyl)oxy]carbonyl}-L-prolyl-D-valyl-L-leucinate [ACD/IUPAC Name]
Benzyl-3-hydroxy-1-{[(2-methyl-2-propanyl)oxy]carbonyl}-L-prolyl-D-valyl-L-leucinat [German] [ACD/IUPAC Name]
L-Leucine, 1-[(1,1-dimethylethoxy)carbonyl]-3-hydroxy-L-prolyl-D-valyl-, phenylmethyl ester [ACD/Index 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: 710.9±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 109.1±3.0 kJ/mol
Flash Point: 383.7±32.9 °C
Index of Refraction: 1.533
Molar Refractivity: 141.9±0.3 cm3
#H bond acceptors: 10
#H bond donors: 3
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 2
ACD/LogP: 3.23
ACD/LogD (pH 5.5): 3.01
ACD/BCF (pH 5.5): 113.45
ACD/KOC (pH 5.5): 1029.04
ACD/LogD (pH 7.4): 3.01
ACD/BCF (pH 7.4): 113.45
ACD/KOC (pH 7.4): 1029.03
Polar Surface Area: 134 Å2
Polarizability: 56.3±0.5 10-24cm3
Surface Tension: 47.6±3.0 dyne/cm
Molar Volume: 457.2±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement