ChemSpider 2D Image | N-(4-Morpholinylacetyl)-D-alanyl-N-[(2S,4R)-1-cyclohexyl-5-hydroxy-4-methyl-3-oxo-2-pentanyl]-O-methyl-L-tyrosinamide | C31H48N4O7

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

  • Molecular FormulaC31H48N4O7
  • Average mass588.735 Da
  • Monoisotopic mass588.352295 Da
  • ChemSpider ID35035084
  • 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)-1-(cyclohexylmethyl)-4-hydroxy-3-methyl-2-oxobutyl]-O-methyl- [ACD/Index Name]
N-(4-Morpholinylacetyl)-D-alanyl-N-[(2S,4R)-1-cyclohexyl-5-hydroxy-4-methyl-3-oxo-2-pentanyl]-O-methyl-L-tyrosinamid [German] [ACD/IUPAC Name]
N-(4-Morpholinylacetyl)-D-alanyl-N-[(2S,4R)-1-cyclohexyl-5-hydroxy-4-methyl-3-oxo-2-pentanyl]-O-methyl-L-tyrosinamide [ACD/IUPAC Name]
N-(Morpholin-4-Ylacetyl)-D-Alanyl-N-[(2s,4r)-1-Cyclohexyl-5-Hydroxy-4-Methyl-3-Oxopentan-2-Yl]-O-Methyl-L-Tyrosinamide
N-[2-(4-Morpholinyl)acétyl]-D-alanyl-N-[(2S,4R)-1-cyclohexyl-5-hydroxy-4-méthyl-3-oxo-2-pentanyl]-O-méthyl-L-tyrosinamide [French] [ACD/IUPAC Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.2±0.1 g/cm3
Boiling Point: 874.8±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 133.2±3.0 kJ/mol
Flash Point: 482.9±34.3 °C
Index of Refraction: 1.536
Molar Refractivity: 157.7±0.3 cm3
#H bond acceptors: 11
#H bond donors: 4
#Freely Rotating Bonds: 15
#Rule of 5 Violations: 2
ACD/LogP: 4.02
ACD/LogD (pH 5.5): 2.11
ACD/BCF (pH 5.5): 22.63
ACD/KOC (pH 5.5): 310.88
ACD/LogD (pH 7.4): 2.17
ACD/BCF (pH 7.4): 26.26
ACD/KOC (pH 7.4): 360.81
Polar Surface Area: 146 Å2
Polarizability: 62.5±0.5 10-24cm3
Surface Tension: 47.1±3.0 dyne/cm
Molar Volume: 505.3±3.0 cm3

Click to predict properties on the Chemicalize site






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