ChemSpider 2D Image | 4-{[1-(4,4-Dimethyl-2,6-dioxocyclohexylidene)-2,2-dimethylpropyl]amino}phenyl N-[(9H-fluoren-9-ylmethoxy)carbonyl]-beta-alanyl-beta-alanyl-beta-alaninate | C43H50N4O8

4-{[1-(4,4-Dimethyl-2,6-dioxocyclohexylidene)-2,2-dimethylpropyl]amino}phenyl N-[(9H-fluoren-9-ylmethoxy)carbonyl]-β-alanyl-β-alanyl-β-alaninate

  • Molecular FormulaC43H50N4O8
  • Average mass750.879 Da
  • Monoisotopic mass750.362854 Da
  • ChemSpider ID74821752

More details:

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

4-{[1-(4,4-Dimethyl-2,6-dioxocyclohexyliden)-2,2-dimethylpropyl]amino}phenyl-N-[(9H-fluoren-9-ylmethoxy)carbonyl]-β-alanyl-β-alanyl-β-alaninat [German] [ACD/IUPAC Name]
4-{[1-(4,4-Dimethyl-2,6-dioxocyclohexylidene)-2,2-dimethylpropyl]amino}phenyl N-[(9H-fluoren-9-ylmethoxy)carbonyl]-β-alanyl-β-alanyl-β-alaninate [ACD/IUPAC Name]
N-[(9H-Fluorén-9-ylméthoxy)carbonyl]-β-alanyl-β-alanyl-β-alaninate de 4-{[1-(4,4-diméthyl-2,6-dioxocyclohexylidène)-2,2-diméthylpropyl]amino}phényle [French] [ACD/IUPAC Name]
β-Alanine, N-[(9H-fluoren-9-ylmethoxy)carbonyl]-β-alanyl-β-alanyl-, 4-[[1-(4,4-dimethyl-2,6-dioxocyclohexylidene)-2,2-dimethylpropyl]amino]phenyl ester [ACD/Index 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: 963.9±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 140.5±3.0 kJ/mol
Flash Point: 536.8±34.3 °C
Index of Refraction: 1.591
Molar Refractivity: 206.6±0.3 cm3
#H bond acceptors: 12
#H bond donors: 4
#Freely Rotating Bonds: 17
#Rule of 5 Violations: 2
ACD/LogP: 4.49
ACD/LogD (pH 5.5): 5.50
ACD/BCF (pH 5.5): 8943.66
ACD/KOC (pH 5.5): 23446.84
ACD/LogD (pH 7.4): 5.50
ACD/BCF (pH 7.4): 8942.92
ACD/KOC (pH 7.4): 23444.91
Polar Surface Area: 169 Å2
Polarizability: 81.9±0.5 10-24cm3
Surface Tension: 52.3±3.0 dyne/cm
Molar Volume: 611.4±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement