ChemSpider 2D Image | 2-Methyl-2-propanyl N~6~-[(benzyloxy)carbonyl]-N~6~-[(2S)-4-{[(benzyloxy)carbonyl]amino}-2-hydroxybutyl]-N~2~-{[(2-methyl-2-propanyl)oxy]carbonyl}-L-lysyl-L-valinate | C40H60N4O10

2-Methyl-2-propanyl N6-[(benzyloxy)carbonyl]-N6-[(2S)-4-{[(benzyloxy)carbonyl]amino}-2-hydroxybutyl]-N2-{[(2-methyl-2-propanyl)oxy]carbonyl}-L-lysyl-L-valinate

  • Molecular FormulaC40H60N4O10
  • Average mass756.925 Da
  • Monoisotopic mass756.430969 Da
  • ChemSpider ID9018099

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

2-Methyl-2-propanyl N6-[(benzyloxy)carbonyl]-N6-[(2S)-4-{[(benzyloxy)carbonyl]amino}-2-hydroxybutyl]-N2-{[(2-methyl-2-propanyl)oxy]carbonyl}-L-lysyl-L-valinate [ACD/IUPAC Name]
2-Methyl-2-propanyl-N6-[(benzyloxy)carbonyl]-N6-[(2S)-4-{[(benzyloxy)carbonyl]amino}-2-hydroxybutyl]-N2-{[(2-methyl-2-propanyl)oxy]carbonyl}-L-lysyl-L-valinat [German] [ACD/IUPAC Name]
L-Valine, N2-[(1,1-dimethylethoxy)carbonyl]-N6-[(2S)-2-hydroxy-4-[[(phenylmethoxy)carbonyl]amino]butyl]-N6-[(phenylmethoxy)carbonyl]-L-lysyl-, 1,1-dimethylethyl ester [ACD/Index Name]
N6-[(Benzyloxy)carbonyl]-N6-[(2S)-4-{[(benzyloxy)carbonyl]amino}-2-hydroxybutyl]-N2-{[(2-méthyl-2-propanyl)oxy]carbonyl}-L-lysyl-L-valinate de 2-méthyl-2-propanyle [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: 871.0±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 132.6±3.0 kJ/mol
Flash Point: 480.6±34.3 °C
Index of Refraction: 1.533
Molar Refractivity: 203.7±0.3 cm3
#H bond acceptors: 14
#H bond donors: 4
#Freely Rotating Bonds: 25
#Rule of 5 Violations: 3
ACD/LogP: 7.13
ACD/LogD (pH 5.5): 6.10
ACD/BCF (pH 5.5): 25443.41
ACD/KOC (pH 5.5): 49555.92
ACD/LogD (pH 7.4): 6.10
ACD/BCF (pH 7.4): 25436.20
ACD/KOC (pH 7.4): 49541.88
Polar Surface Area: 182 Å2
Polarizability: 80.7±0.5 10-24cm3
Surface Tension: 45.1±3.0 dyne/cm
Molar Volume: 656.0±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement