ChemSpider 2D Image | N-(4-Morpholinylacetyl)-D-alanyl-N-[(2S,4R)-5-hydroxy-4-methyl-3-oxo-1-phenyl-2-pentanyl]-O-methyl-L-tyrosinamide | C31H42N4O7

N-(4-Morpholinylacetyl)-D-alanyl-N-[(2S,4R)-5-hydroxy-4-methyl-3-oxo-1-phenyl-2-pentanyl]-O-methyl-L-tyrosinamide

  • Molecular FormulaC31H42N4O7
  • Average mass582.688 Da
  • Monoisotopic mass582.305359 Da
  • ChemSpider ID35035099

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

L-Tyrosinamide, N-[2-(4-morpholinyl)acetyl]-D-alanyl-N-[(1S,3R)-4-hydroxy-3-methyl-2-oxo-1-(phenylmethyl)butyl]-O-methyl- [ACD/Index Name]
N-(4-Morpholinylacetyl)-D-alanyl-N-[(2S,4R)-5-hydroxy-4-methyl-3-oxo-1-phenyl-2-pentanyl]-O-methyl-L-tyrosinamid [German] [ACD/IUPAC Name]
N-(4-Morpholinylacetyl)-D-alanyl-N-[(2S,4R)-5-hydroxy-4-methyl-3-oxo-1-phenyl-2-pentanyl]-O-methyl-L-tyrosinamide [ACD/IUPAC Name]
N-(Morpholin-4-Ylacetyl)-D-Alanyl-N-[(2s,4r)-5-Hydroxy-4-Methyl-3-Oxo-1-Phenylpentan-2-Yl]-O-Methyl-L-Tyrosinamide
N-[2-(4-Morpholinyl)acétyl]-D-alanyl-N-[(2S,4R)-5-hydroxy-4-méthyl-3-oxo-1-phényl-2-pentanyl]-O-méthyl-L-tyrosinamide [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: 892.4±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 135.9±3.0 kJ/mol
Flash Point: 493.5±34.3 °C
Index of Refraction: 1.560
Molar Refractivity: 156.5±0.3 cm3
#H bond acceptors: 11
#H bond donors: 4
#Freely Rotating Bonds: 15
#Rule of 5 Violations: 2
ACD/LogP: 2.98
ACD/LogD (pH 5.5): 2.14
ACD/BCF (pH 5.5): 24.08
ACD/KOC (pH 5.5): 325.09
ACD/LogD (pH 7.4): 2.21
ACD/BCF (pH 7.4): 27.95
ACD/KOC (pH 7.4): 377.30
Polar Surface Area: 146 Å2
Polarizability: 62.0±0.5 10-24cm3
Surface Tension: 50.5±3.0 dyne/cm
Molar Volume: 483.6±3.0 cm3

Click to predict properties on the Chemicalize site


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