ChemSpider 2D Image | N-(2-Hydroxyethyl)-N-[1-(4-hydroxy-3-methylphenyl)-2-oxo-2-(pentylamino)ethyl]-Nalpha-{[(2-methyl-2-propanyl)oxy]carbonyl}tyrosinamide | C30H43N3O7

N-(2-Hydroxyethyl)-N-[1-(4-hydroxy-3-methylphenyl)-2-oxo-2-(pentylamino)ethyl]-Nα-{[(2-methyl-2-propanyl)oxy]carbonyl}tyrosinamide

  • Molecular FormulaC30H43N3O7
  • Average mass557.678 Da
  • Monoisotopic mass557.310120 Da
  • ChemSpider ID16558827

More details:

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

Carbamic acid, N-[2-[(2-hydroxyethyl)[1-(4-hydroxy-3-methylphenyl)-2-oxo-2-(pentylamino)ethyl]amino]-1-[(4-hydroxyphenyl)methyl]-2-oxoethyl]-, 1,1-dimethylethyl ester [ACD/Index Name]
N-(2-Hydroxyethyl)-N-[1-(4-hydroxy-3-methylphenyl)-2-oxo-2-(pentylamino)ethyl]-Nα-{[(2-methyl-2-propanyl)oxy]carbonyl}tyrosinamid [German] [ACD/IUPAC Name]
N-(2-Hydroxyethyl)-N-[1-(4-hydroxy-3-methylphenyl)-2-oxo-2-(pentylamino)ethyl]-Nα-{[(2-methyl-2-propanyl)oxy]carbonyl}tyrosinamide [ACD/IUPAC Name]
N-(2-Hydroxyéthyl)-N-[1-(4-hydroxy-3-méthylphényl)-2-oxo-2-(pentylamino)éthyl]-Nα-{[(2-méthyl-2-propanyl)oxy]carbonyl}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: 772.7±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.8 mmHg at 25°C
Enthalpy of Vaporization: 118.0±3.0 kJ/mol
Flash Point: 421.1±35.7 °C
Index of Refraction: 1.561
Molar Refractivity: 151.9±0.5 cm3
#H bond acceptors: 10
#H bond donors: 5
#Freely Rotating Bonds: 15
#Rule of 5 Violations: 4
ACD/LogP: 6.52
ACD/LogD (pH 5.5): 3.88
ACD/BCF (pH 5.5): 378.70
ACD/KOC (pH 5.5): 1658.41
ACD/LogD (pH 7.4): 3.80
ACD/BCF (pH 7.4): 315.97
ACD/KOC (pH 7.4): 1383.69
Polar Surface Area: 155 Å2
Polarizability: 60.2±0.5 10-24cm3
Surface Tension: 43.9±7.0 dyne/cm
Molar Volume: 469.1±7.0 cm3

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