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Search term: KASPBOFZZKKPRY (Found by InChIKey (skeleton match))

ChemSpider 2D Image | Nalpha-(3,5-Dinitrobenzoyl)-N-[2-(4-methoxyphenyl)-2-(4-morpholinyl)ethyl]tyrosinamide | C29H31N5O9

Nα-(3,5-Dinitrobenzoyl)-N-[2-(4-methoxyphenyl)-2-(4-morpholinyl)ethyl]tyrosinamide

  • Molecular FormulaC29H31N5O9
  • Average mass593.584 Da
  • Monoisotopic mass593.212158 Da
  • ChemSpider ID121171456

More details:






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

Benzenepropanamide, α-[(3,5-dinitrobenzoyl)amino]-4-hydroxy-N-[2-(4-methoxyphenyl)-2-(4-morpholinyl)ethyl]- [ACD/Index Name]
Nα-(3,5-Dinitrobenzoyl)-N-[2-(4-methoxyphenyl)-2-(4-morpholinyl)ethyl]tyrosinamid [German] [ACD/IUPAC Name]
Nα-(3,5-Dinitrobenzoyl)-N-[2-(4-methoxyphenyl)-2-(4-morpholinyl)ethyl]tyrosinamide [ACD/IUPAC Name]
Nα-(3,5-Dinitrobenzoyl)-N-[2-(4-méthoxyphényl)-2-(4-morpholinyl)éthyl]tyrosinamide [French] [ACD/IUPAC Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 847.6±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.3 mmHg at 25°C
Enthalpy of Vaporization: 127.4±3.0 kJ/mol
Flash Point: 466.4±34.3 °C
Index of Refraction: 1.634
Molar Refractivity: 154.2±0.3 cm3
#H bond acceptors: 14
#H bond donors: 3
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 2
ACD/LogP: 2.11
ACD/LogD (pH 5.5): 2.32
ACD/BCF (pH 5.5): 26.75
ACD/KOC (pH 5.5): 271.87
ACD/LogD (pH 7.4): 2.77
ACD/BCF (pH 7.4): 74.02
ACD/KOC (pH 7.4): 752.31
Polar Surface Area: 192 Å2
Polarizability: 61.1±0.5 10-24cm3
Surface Tension: 63.9±3.0 dyne/cm
Molar Volume: 431.5±3.0 cm3

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