ChemSpider 2D Image | Benzyl N~6~-(N-{[(2-methyl-2-propanyl)oxy]carbonyl}-L-valyl-3-methyl-D-asparaginyl)-N~2~-[(benzyloxy)carbonyl]-L-lysinate | C36H51N5O9

Benzyl N6-(N-{[(2-methyl-2-propanyl)oxy]carbonyl}-L-valyl-3-methyl-D-asparaginyl)-N2-[(benzyloxy)carbonyl]-L-lysinate

  • Molecular FormulaC36H51N5O9
  • Average mass697.818 Da
  • Monoisotopic mass697.368652 Da
  • ChemSpider ID9094809

  • defined stereocentres - 3 of 4 defined stereocentres

More details:

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

Benzyl N6-(N-{[(2-methyl-2-propanyl)oxy]carbonyl}-L-valyl-3-methyl-D-asparaginyl)-N2-[(benzyloxy)carbonyl]-L-lysinate [ACD/IUPAC Name]
Benzyl-N6-(N-{[(2-methyl-2-propanyl)oxy]carbonyl}-L-valyl-3-methyl-D-asparaginyl)-N2-[(benzyloxy)carbonyl]-L-lysinat [German] [ACD/IUPAC Name]
L-Lysine, N6-[N-[(1,1-dimethylethoxy)carbonyl]-L-valyl-3-methyl-D-asparaginyl]-N2-[(phenylmethoxy)carbonyl]-, phenylmethyl ester [ACD/Index Name]
N6-(N-{[(2-Méthyl-2-propanyl)oxy]carbonyl}-L-valyl-3-méthyl-D-asparaginyl)-N2-[(benzyloxy)carbonyl]-L-lysinate 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: 938.1±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 136.6±3.0 kJ/mol
Flash Point: 521.2±34.3 °C
Index of Refraction: 1.542
Molar Refractivity: 185.3±0.3 cm3
#H bond acceptors: 14
#H bond donors: 6
#Freely Rotating Bonds: 22
#Rule of 5 Violations: 4
ACD/LogP: 5.21
ACD/LogD (pH 5.5): 3.92
ACD/BCF (pH 5.5): 558.89
ACD/KOC (pH 5.5): 3220.03
ACD/LogD (pH 7.4): 3.92
ACD/BCF (pH 7.4): 558.65
ACD/KOC (pH 7.4): 3218.62
Polar Surface Area: 204 Å2
Polarizability: 73.5±0.5 10-24cm3
Surface Tension: 47.2±3.0 dyne/cm
Molar Volume: 588.8±3.0 cm3

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