ChemSpider 2D Image | O-[2-(Dimethylamino)ethyl]-Nalpha-{[(4-nitrobenzyl)oxy]carbonyl}-N,N-dipropyl-L-tyrosinamide | C27H38N4O6

O-[2-(Dimethylamino)ethyl]-Nα-{[(4-nitrobenzyl)oxy]carbonyl}-N,N-dipropyl-L-tyrosinamide

  • Molecular FormulaC27H38N4O6
  • Average mass514.614 Da
  • Monoisotopic mass514.279114 Da
  • ChemSpider ID38521

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

Carbamic acid, N-[(1S)-1-[[4-[2-(dimethylamino)ethoxy]phenyl]methyl]-2-(dipropylamino)-2-oxoethyl]-, (4-nitrophenyl)methyl ester [ACD/Index Name]
O-[2-(Dimethylamino)ethyl]-Nα-{[(4-nitrobenzyl)oxy]carbonyl}-N,N-dipropyl-L-tyrosinamid [German] [ACD/IUPAC Name]
O-[2-(Dimethylamino)ethyl]-Nα-{[(4-nitrobenzyl)oxy]carbonyl}-N,N-dipropyl-L-tyrosinamide [ACD/IUPAC Name]
O-[2-(Diméthylamino)éthyl]-Nα-{[(4-nitrobenzyl)oxy]carbonyl}-N,N-dipropyl-L-tyrosinamide [French] [ACD/IUPAC Name]
57228-55-4 [RN]
CARBAMIC ACID, (1-((4-(2-(DIMETHYLAMINO)ETHOXY)PHENYL)METHYL)-2-(DIPROPYLAMINO)-
Carbamic acid, (1-((4-(2-(dimethylamino)ethoxy)phenyl)methyl)-2-(dipropylamino)-2-oxoethyl)-,(p-nitrobenzyl) ester, (S)-
O-(2-Dimethylaminoethyl)-N-(p-nitrocarbobenzoxy)-L-tyrosyl-di-n-propylamide

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

CR 613 [DBID]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 678.9±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 99.6±3.0 kJ/mol
Flash Point: 364.4±31.5 °C
Index of Refraction: 1.556
Molar Refractivity: 141.9±0.3 cm3
#H bond acceptors: 10
#H bond donors: 1
#Freely Rotating Bonds: 16
#Rule of 5 Violations: 2
ACD/LogP: 4.84
ACD/LogD (pH 5.5): 1.31
ACD/BCF (pH 5.5): 1.22
ACD/KOC (pH 5.5): 6.27
ACD/LogD (pH 7.4): 2.85
ACD/BCF (pH 7.4): 42.42
ACD/KOC (pH 7.4): 217.57
Polar Surface Area: 117 Å2
Polarizability: 56.3±0.5 10-24cm3
Surface Tension: 46.5±3.0 dyne/cm
Molar Volume: 441.2±3.0 cm3

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