ChemSpider 2D Image | Methyl N-[(benzyloxy)carbonyl]-L-valyl-L-valyl-L-valyl-L-valinate | C29H46N4O7

Methyl N-[(benzyloxy)carbonyl]-L-valyl-L-valyl-L-valyl-L-valinate

  • Molecular FormulaC29H46N4O7
  • Average mass562.698 Da
  • Monoisotopic mass562.336670 Da
  • ChemSpider ID9299715

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

L-Valine, N-[(phenylmethoxy)carbonyl]-L-valyl-L-valyl-L-valyl-, methyl ester [ACD/Index Name]
Methyl N-[(benzyloxy)carbonyl]-L-valyl-L-valyl-L-valyl-L-valinate [ACD/IUPAC Name]
Methyl-N-[(benzyloxy)carbonyl]-L-valyl-L-valyl-L-valyl-L-valinat [German] [ACD/IUPAC Name]
N-[(Benzyloxy)carbonyl]-L-valyl-L-valyl-L-valyl-L-valinate de méthyle [French] [ACD/IUPAC Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 771.5±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.6 mmHg at 25°C
Enthalpy of Vaporization: 112.3±3.0 kJ/mol
Flash Point: 420.4±32.9 °C
Index of Refraction: 1.508
Molar Refractivity: 150.8±0.3 cm3
#H bond acceptors: 11
#H bond donors: 4
#Freely Rotating Bonds: 16
#Rule of 5 Violations: 2
ACD/LogP: 4.98
ACD/LogD (pH 5.5): 3.59
ACD/BCF (pH 5.5): 314.52
ACD/KOC (pH 5.5): 2135.14
ACD/LogD (pH 7.4): 3.59
ACD/BCF (pH 7.4): 314.38
ACD/KOC (pH 7.4): 2134.13
Polar Surface Area: 152 Å2
Polarizability: 59.8±0.5 10-24cm3
Surface Tension: 40.5±3.0 dyne/cm
Molar Volume: 505.5±3.0 cm3

Click to predict properties on the Chemicalize site


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