ChemSpider 2D Image | Benzyl N-{[(2-methyl-2-propanyl)oxy]carbonyl}-L-leucyl-N-[(2S)-4-methyl-1-oxo-2-pentanyl]-L-alpha-asparaginate | C28H43N3O7

Benzyl N-{[(2-methyl-2-propanyl)oxy]carbonyl}-L-leucyl-N-[(2S)-4-methyl-1-oxo-2-pentanyl]-L-α-asparaginate

  • Molecular FormulaC28H43N3O7
  • Average mass533.657 Da
  • Monoisotopic mass533.310120 Da
  • ChemSpider ID10174734

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

Benzyl N-{[(2-methyl-2-propanyl)oxy]carbonyl}-L-leucyl-N-[(2S)-4-methyl-1-oxo-2-pentanyl]-L-α-asparaginate [ACD/IUPAC Name]
Benzyl-N-{[(2-methyl-2-propanyl)oxy]carbonyl}-L-leucyl-N-[(2S)-4-methyl-1-oxo-2-pentanyl]-L-α-asparaginat [German] [ACD/IUPAC Name]
L-α-Asparagine, N-[(1,1-dimethylethoxy)carbonyl]-L-leucyl-N-[(1S)-1-formyl-3-methylbutyl]-, phenylmethyl ester [ACD/Index Name]
N-{[(2-Méthyl-2-propanyl)oxy]carbonyl}-L-leucyl-N-[(2S)-4-méthyl-1-oxo-2-pentanyl]-L-α-asparaginate de benzyle [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: 735.3±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 107.3±3.0 kJ/mol
Flash Point: 398.5±32.9 °C
Index of Refraction: 1.508
Molar Refractivity: 142.8±0.3 cm3
#H bond acceptors: 10
#H bond donors: 3
#Freely Rotating Bonds: 17
#Rule of 5 Violations: 3
ACD/LogP: 6.07
ACD/LogD (pH 5.5): 4.25
ACD/BCF (pH 5.5): 999.95
ACD/KOC (pH 5.5): 4886.33
ACD/LogD (pH 7.4): 4.25
ACD/BCF (pH 7.4): 999.68
ACD/KOC (pH 7.4): 4885.06
Polar Surface Area: 140 Å2
Polarizability: 56.6±0.5 10-24cm3
Surface Tension: 41.2±3.0 dyne/cm
Molar Volume: 479.3±3.0 cm3

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