ChemSpider 2D Image | N-{(2S,3R)-3-Amino-4-[4-(benzyloxy)phenyl]-2-hydroxybutanoyl}-L-leucine | C23H30N2O5

N-{(2S,3R)-3-Amino-4-[4-(benzyloxy)phenyl]-2-hydroxybutanoyl}-L-leucine

  • Molecular FormulaC23H30N2O5
  • Average mass414.495 Da
  • Monoisotopic mass414.215485 Da
  • ChemSpider ID26326519
  • defined stereocentres - 3 of 3 defined stereocentres


More details:






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

L-Leucine, N-[(2S,3R)-3-amino-2-hydroxy-1-oxo-4-[4-(phenylmethoxy)phenyl]butyl]- [ACD/Index Name]
N-{(2S,3R)-3-Amino-4-[4-(benzyloxy)phenyl]-2-hydroxybutanoyl}-L-leucin [German] [ACD/IUPAC Name]
N-{(2S,3R)-3-Amino-4-[4-(benzyloxy)phenyl]-2-hydroxybutanoyl}-L-leucine [ACD/IUPAC Name]
N-{(2S,3R)-3-Amino-4-[4-(benzyloxy)phényl]-2-hydroxybutanoyl}-L-leucine [French] [ACD/IUPAC Name]
D50

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.2±0.1 g/cm3
Boiling Point: 702.9±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 108.0±3.0 kJ/mol
Flash Point: 378.9±32.9 °C
Index of Refraction: 1.581
Molar Refractivity: 114.1±0.3 cm3
#H bond acceptors: 7
#H bond donors: 5
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 1
ACD/LogP: 4.21
ACD/LogD (pH 5.5): 0.14
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 2.06
ACD/LogD (pH 7.4): -0.01
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.44
Polar Surface Area: 122 Å2
Polarizability: 45.2±0.5 10-24cm3
Surface Tension: 52.5±3.0 dyne/cm
Molar Volume: 342.3±3.0 cm3

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