ChemSpider 2D Image | 4-(4-Cyanophenyl)-3-{[(9H-fluoren-9-ylmethoxy)carbonyl]amino}butanoic acid | C26H22N2O4

4-(4-Cyanophenyl)-3-{[(9H-fluoren-9-ylmethoxy)carbonyl]amino}butanoic acid

  • Molecular FormulaC26H22N2O4
  • Average mass426.464 Da
  • Monoisotopic mass426.157959 Da
  • ChemSpider ID26462731

More details:

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

4-(4-Cyanophenyl)-3-{[(9H-fluoren-9-ylmethoxy)carbonyl]amino}butanoic acid [ACD/IUPAC Name]
4-(4-Cyanphenyl)-3-{[(9H-fluoren-9-ylmethoxy)carbonyl]amino}butansäure [German] [ACD/IUPAC Name]
Acide 4-(4-cyanophényl)-3-{[(9H-fluorén-9-ylméthoxy)carbonyl]amino}butanoïque [French] [ACD/IUPAC Name]
Benzenebutanoic acid, 4-cyano-β-[[(9H-fluoren-9-ylmethoxy)carbonyl]amino]- [ACD/Index Name]
(R)-3-((((9H-Fluoren-9-yl)methoxy)carbonyl)amino)-4-(4-cyanophenyl)butanoic acid
(S)-3-((((9H-fluoren-9-yl)methoxy)carbonyl)amino)-4-(4-cyanophenyl)butanoic acid
269726-87-6 [RN]
270065-90-2 [RN]
Fmoc-4-cyano-D-β-homophenylalanine
Fmoc-4-cyano-L-β-homophenylalanine
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.3±0.1 g/cm3
Boiling Point: 690.2±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 106.2±3.0 kJ/mol
Flash Point: 371.2±31.5 °C
Index of Refraction: 1.662
Molar Refractivity: 118.2±0.4 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 1
ACD/LogP: 5.06
ACD/LogD (pH 5.5): 3.34
ACD/BCF (pH 5.5): 98.70
ACD/KOC (pH 5.5): 395.89
ACD/LogD (pH 7.4): 1.57
ACD/BCF (pH 7.4): 1.66
ACD/KOC (pH 7.4): 6.65
Polar Surface Area: 99 Å2
Polarizability: 46.9±0.5 10-24cm3
Surface Tension: 68.3±5.0 dyne/cm
Molar Volume: 319.4±5.0 cm3

Click to predict properties on the Chemicalize site


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