ChemSpider 2D Image | Methyl N-acetyl-L-valyl-O-benzyl-L-threonyl-L-leucyl-3-[(3S)-2-oxo-3-pyrrolidinyl]-L-alaninate | C32H49N5O8

Methyl N-acetyl-L-valyl-O-benzyl-L-threonyl-L-leucyl-3-[(3S)-2-oxo-3-pyrrolidinyl]-L-alaninate

  • Molecular FormulaC32H49N5O8
  • Average mass631.760 Da
  • Monoisotopic mass631.358093 Da
  • ChemSpider ID9631235

  • defined stereocentres - 6 of 6 defined stereocentres

More details:

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

L-Alanine, N-acetyl-L-valyl-O-(phenylmethyl)-L-threonyl-L-leucyl-3-[(3S)-2-oxo-3-pyrrolidinyl]-, methyl ester [ACD/Index Name]
Methyl N-acetyl-L-valyl-O-benzyl-L-threonyl-L-leucyl-3-[(3S)-2-oxo-3-pyrrolidinyl]-L-alaninate [ACD/IUPAC Name]
Methyl-N-acetyl-L-valyl-O-benzyl-L-threonyl-L-leucyl-3-[(3S)-2-oxo-3-pyrrolidinyl]-L-alaninat [German] [ACD/IUPAC Name]
N-Acétyl-L-valyl-O-benzyl-L-thréonyl-L-leucyl-3-[(3S)-2-oxo-3-pyrrolidinyl]-L-alaninate de méthyle [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: 925.4±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 134.7±3.0 kJ/mol
Flash Point: 513.5±34.3 °C
Index of Refraction: 1.521
Molar Refractivity: 166.1±0.3 cm3
#H bond acceptors: 13
#H bond donors: 5
#Freely Rotating Bonds: 18
#Rule of 5 Violations: 3
ACD/LogP: 2.33
ACD/LogD (pH 5.5): 2.18
ACD/BCF (pH 5.5): 26.77
ACD/KOC (pH 5.5): 365.82
ACD/LogD (pH 7.4): 2.18
ACD/BCF (pH 7.4): 26.77
ACD/KOC (pH 7.4): 365.82
Polar Surface Area: 181 Å2
Polarizability: 65.9±0.5 10-24cm3
Surface Tension: 44.8±3.0 dyne/cm
Molar Volume: 545.9±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement