ChemSpider 2D Image | N-[(Benzyloxy)carbonyl]-O-(2-methyl-2-propanyl)-L-threonyl-N-{(2S)-1-hydroxy-3-[(3S)-2-oxo-3-pyrrolidinyl]-2-propanyl}-L-leucinamide | C29H46N4O7

N-[(Benzyloxy)carbonyl]-O-(2-methyl-2-propanyl)-L-threonyl-N-{(2S)-1-hydroxy-3-[(3S)-2-oxo-3-pyrrolidinyl]-2-propanyl}-L-leucinamide

  • Molecular FormulaC29H46N4O7
  • Average mass562.698 Da
  • Monoisotopic mass562.336670 Da
  • ChemSpider ID9528469

  • defined stereocentres - 4 of 5 defined stereocentres

More details:

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

L-Leucinamide, O-(1,1-dimethylethyl)-N-[(phenylmethoxy)carbonyl]-L-threonyl-N-[(1S)-2-hydroxy-1-[[(3S)-2-oxo-3-pyrrolidinyl]methyl]ethyl]- [ACD/Index Name]
N-[(Benzyloxy)carbonyl]-O-(2-methyl-2-propanyl)-L-threonyl-N-{(2S)-1-hydroxy-3-[(3S)-2-oxo-3-pyrrolidinyl]-2-propanyl}-L-leucinamid [German] [ACD/IUPAC Name]
N-[(Benzyloxy)carbonyl]-O-(2-methyl-2-propanyl)-L-threonyl-N-{(2S)-1-hydroxy-3-[(3S)-2-oxo-3-pyrrolidinyl]-2-propanyl}-L-leucinamide [ACD/IUPAC Name]
N-[(Benzyloxy)carbonyl]-O-(2-méthyl-2-propanyl)-L-thréonyl-N-{(2S)-1-hydroxy-3-[(3S)-2-oxo-3-pyrrolidinyl]-2-propanyl}-L-leucinamide [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: 835.6±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.2 mmHg at 25°C
Enthalpy of Vaporization: 127.3±3.0 kJ/mol
Flash Point: 459.2±34.3 °C
Index of Refraction: 1.525
Molar Refractivity: 150.2±0.3 cm3
#H bond acceptors: 11
#H bond donors: 5
#Freely Rotating Bonds: 16
#Rule of 5 Violations: 3
ACD/LogP: 2.41
ACD/LogD (pH 5.5): 2.46
ACD/BCF (pH 5.5): 43.53
ACD/KOC (pH 5.5): 518.02
ACD/LogD (pH 7.4): 2.46
ACD/BCF (pH 7.4): 43.50
ACD/KOC (pH 7.4): 517.75
Polar Surface Area: 155 Å2
Polarizability: 59.5±0.5 10-24cm3
Surface Tension: 45.3±3.0 dyne/cm
Molar Volume: 490.1±3.0 cm3

Click to predict properties on the Chemicalize site


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