ChemSpider 2D Image | N-Acetyl-L-leucyl-N-[(4S,5S,7R)-8-(butylamino)-5-hydroxy-2,7-dimethyl-8-oxo-4-octanyl]-L-methioninamide | C27H52N4O5S

N-Acetyl-L-leucyl-N-[(4S,5S,7R)-8-(butylamino)-5-hydroxy-2,7-dimethyl-8-oxo-4-octanyl]-L-methioninamide

  • Molecular FormulaC27H52N4O5S
  • Average mass544.791 Da
  • Monoisotopic mass544.365845 Da
  • ChemSpider ID24672085

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

L-Methioninamide, N-acetyl-L-leucyl-N-[(1S,2S,4R)-5-(butylamino)-2-hydroxy-4-methyl-1-(2-methylpropyl)-5-oxopentyl]- [ACD/Index Name]
N-Acetyl-L-leucyl-N-[(4S,5S,7R)-8-(butylamino)-5-hydroxy-2,7-dimethyl-8-oxo-4-octanyl]-L-methioninamid [German] [ACD/IUPAC Name]
N-Acetyl-L-leucyl-N-[(4S,5S,7R)-8-(butylamino)-5-hydroxy-2,7-dimethyl-8-oxo-4-octanyl]-L-methioninamide [ACD/IUPAC Name]
N-Acétyl-L-leucyl-N-[(4S,5S,7R)-8-(butylamino)-5-hydroxy-2,7-diméthyl-8-oxo-4-octanyl]-L-méthioninamide [French] [ACD/IUPAC Name]
N-Acetyl-L-Leucyl-N-[(4s,5s,7r)-8-(Butylamino)-5-Hydroxy-2,7-Dimethyl-8-Oxooctan-4-Yl]-L-Methioninamide
XLI

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.1±0.1 g/cm3
Boiling Point: 842.8±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 139.3±6.0 kJ/mol
Flash Point: 463.5±34.3 °C
Index of Refraction: 1.501
Molar Refractivity: 150.9±0.3 cm3
#H bond acceptors: 9
#H bond donors: 5
#Freely Rotating Bonds: 19
#Rule of 5 Violations: 2
ACD/LogP: 2.65
ACD/LogD (pH 5.5): 3.04
ACD/BCF (pH 5.5): 120.79
ACD/KOC (pH 5.5): 1075.61
ACD/LogD (pH 7.4): 3.04
ACD/BCF (pH 7.4): 120.79
ACD/KOC (pH 7.4): 1075.61
Polar Surface Area: 162 Å2
Polarizability: 59.8±0.5 10-24cm3
Surface Tension: 40.0±3.0 dyne/cm
Molar Volume: 512.1±3.0 cm3

Click to predict properties on the Chemicalize site


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