ChemSpider 2D Image | Methyl N-{[(2R,3S)-2-(4-bromophenyl)-3-({[(2-methyl-2-propanyl)oxy]carbonyl}amino)tetrahydro-3-furanyl]carbonyl}-L-valinate | C22H31BrN2O6

Methyl N-{[(2R,3S)-2-(4-bromophenyl)-3-({[(2-methyl-2-propanyl)oxy]carbonyl}amino)tetrahydro-3-furanyl]carbonyl}-L-valinate

  • Molecular FormulaC22H31BrN2O6
  • Average mass499.395 Da
  • Monoisotopic mass498.136536 Da
  • ChemSpider ID30658940

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

L-Valine, N-[[(2R,3S)-2-(4-bromophenyl)-3-[[(1,1-dimethylethoxy)carbonyl]amino]tetrahydro-3-furanyl]carbonyl]-, methyl ester [ACD/Index Name]
Methyl N-{[(2R,3S)-2-(4-bromophenyl)-3-({[(2-methyl-2-propanyl)oxy]carbonyl}amino)tetrahydro-3-furanyl]carbonyl}-L-valinate [ACD/IUPAC Name]
Methyl-N-{[(2R,3S)-2-(4-bromphenyl)-3-({[(2-methyl-2-propanyl)oxy]carbonyl}amino)tetrahydro-3-furanyl]carbonyl}-L-valinat [German] [ACD/IUPAC Name]
N-{[(2R,3S)-2-(4-Bromophényl)-3-({[(2-méthyl-2-propanyl)oxy]carbonyl}amino)tétrahydro-3-furanyl]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: 1.3±0.1 g/cm3
Boiling Point: 610.7±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 90.7±3.0 kJ/mol
Flash Point: 323.1±31.5 °C
Index of Refraction: 1.554
Molar Refractivity: 119.3±0.4 cm3
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 0
ACD/LogP: 4.31
ACD/LogD (pH 5.5): 4.05
ACD/BCF (pH 5.5): 699.10
ACD/KOC (pH 5.5): 3781.87
ACD/LogD (pH 7.4): 4.04
ACD/BCF (pH 7.4): 691.27
ACD/KOC (pH 7.4): 3739.47
Polar Surface Area: 103 Å2
Polarizability: 47.3±0.5 10-24cm3
Surface Tension: 49.2±5.0 dyne/cm
Molar Volume: 372.2±5.0 cm3

Click to predict properties on the Chemicalize site


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