ChemSpider 2D Image | Nalpha-[(Benzyloxy)carbonyl]-N-[(2s)-1-(4-Tert-Butoxyphenyl)-4-Hydroxy-3-Oxobutan-2-Yl]-L-Phenylalaninamide | C31H36N2O6

Nα-[(Benzyloxy)carbonyl]-N-[(2s)-1-(4-Tert-Butoxyphenyl)-4-Hydroxy-3-Oxobutan-2-Yl]-L-Phenylalaninamide

  • Molecular FormulaC31H36N2O6
  • Average mass532.627 Da
  • Monoisotopic mass532.257324 Da
  • ChemSpider ID26327687

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

Carbamic acid, N-[(1S)-2-[[(1S)-1-[[4-(1,1-dimethylethoxy)phenyl]methyl]-3-hydroxy-2-oxopropyl]amino]-2-oxo-1-(phenylmethyl)ethyl]-, phenylmethyl ester [ACD/Index Name]
Nα-[(Benzyloxy)carbonyl]-N-[(2s)-1-(4-Tert-Butoxyphenyl)-4-Hydroxy-3-Oxobutan-2-Yl]-L-Phenylalaninamide
Nα-[(Benzyloxy)carbonyl]-N-[(2S)-4-hydroxy-1-{4-[(2-methyl-2-propanyl)oxy]phenyl}-3-oxo-2-butanyl]-L-phenylalaninamid [German] [ACD/IUPAC Name]
Nα-[(Benzyloxy)carbonyl]-N-[(2S)-4-hydroxy-1-{4-[(2-methyl-2-propanyl)oxy]phenyl}-3-oxo-2-butanyl]-L-phenylalaninamide [ACD/IUPAC Name]
Nα-[(Benzyloxy)carbonyl]-N-[(2S)-4-hydroxy-1-{4-[(2-méthyl-2-propanyl)oxy]phényl}-3-oxo-2-butanyl]-L-phénylalaninamide [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: 764.9±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.7 mmHg at 25°C
Enthalpy of Vaporization: 116.9±3.0 kJ/mol
Flash Point: 416.4±32.9 °C
Index of Refraction: 1.578
Molar Refractivity: 148.2±0.3 cm3
#H bond acceptors: 8
#H bond donors: 3
#Freely Rotating Bonds: 14
#Rule of 5 Violations: 2
ACD/LogP: 6.42
ACD/LogD (pH 5.5): 5.17
ACD/BCF (pH 5.5): 4980.39
ACD/KOC (pH 5.5): 15420.31
ACD/LogD (pH 7.4): 5.17
ACD/BCF (pH 7.4): 4978.27
ACD/KOC (pH 7.4): 15413.76
Polar Surface Area: 114 Å2
Polarizability: 58.8±0.5 10-24cm3
Surface Tension: 48.8±3.0 dyne/cm
Molar Volume: 446.4±3.0 cm3

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