ChemSpider 2D Image | Methyl N-{[(2R,4S)-2-(2-methyl-2-propanyl)-3-(N-{[(2-methyl-2-propanyl)oxy]carbonyl}-L-phenylalanyl)-1,3-oxazolidin-4-yl]carbonyl}-L-valinate | C28H43N3O7

Methyl N-{[(2R,4S)-2-(2-methyl-2-propanyl)-3-(N-{[(2-methyl-2-propanyl)oxy]carbonyl}-L-phenylalanyl)-1,3-oxazolidin-4-yl]carbonyl}-L-valinate

  • Molecular FormulaC28H43N3O7
  • Average mass533.657 Da
  • Monoisotopic mass533.310120 Da
  • ChemSpider ID9203045

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

L-Valine, N-[[(2R,4S)-3-[(2S)-2-[[(1,1-dimethylethoxy)carbonyl]amino]-1-oxo-3-phenylpropyl]-2-(1,1-dimethylethyl)-4-oxazolidinyl]carbonyl]-, methyl ester [ACD/Index Name]
Methyl N-{[(2R,4S)-2-(2-methyl-2-propanyl)-3-(N-{[(2-methyl-2-propanyl)oxy]carbonyl}-L-phenylalanyl)-1,3-oxazolidin-4-yl]carbonyl}-L-valinate [ACD/IUPAC Name]
Methyl-N-{[(2R,4S)-2-(2-methyl-2-propanyl)-3-(N-{[(2-methyl-2-propanyl)oxy]carbonyl}-L-phenylalanyl)-1,3-oxazolidin-4-yl]carbonyl}-L-valinat [German] [ACD/IUPAC Name]
N-{[(2R,4S)-2-(2-Méthyl-2-propanyl)-3-(N-{[(2-méthyl-2-propanyl)oxy]carbonyl}-L-phénylalanyl)-1,3-oxazolidin-4-yl]carbonyl}-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: 697.4±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 102.1±3.0 kJ/mol
Flash Point: 375.6±31.5 °C
Index of Refraction: 1.518
Molar Refractivity: 141.6±0.3 cm3
#H bond acceptors: 10
#H bond donors: 2
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 3
ACD/LogP: 5.29
ACD/LogD (pH 5.5): 3.89
ACD/BCF (pH 5.5): 534.51
ACD/KOC (pH 5.5): 3120.85
ACD/LogD (pH 7.4): 3.89
ACD/BCF (pH 7.4): 534.46
ACD/KOC (pH 7.4): 3120.54
Polar Surface Area: 123 Å2
Polarizability: 56.2±0.5 10-24cm3
Surface Tension: 43.7±3.0 dyne/cm
Molar Volume: 467.6±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement