ChemSpider 2D Image | N-Fmoc-4-(3,4-dichlorophenyl)-L-phenylalanine | C30H23Cl2NO4

N-Fmoc-4-(3,4-dichlorophenyl)-L-phenylalanine

  • Molecular FormulaC30H23Cl2NO4
  • Average mass532.414 Da
  • Monoisotopic mass531.100403 Da
  • ChemSpider ID82963010

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(2S)-3-(3',4'-Dichlor-4-biphenylyl)-2-{[(9H-fluoren-9-ylmethoxy)carbonyl]amino}propansäure (non-preferred name) [German] [ACD/IUPAC Name]
(2S)-3-(3',4'-Dichloro-4-biphenylyl)-2-{[(9H-fluoren-9-ylmethoxy)carbonyl]amino}propanoic acid (non-preferred name) [ACD/IUPAC Name]
2172695-24-6 [RN]
Acide (2S)-3-(3',4'-dichloro-4-biphénylyl)-2-{[(9H-fluorén-9-ylméthoxy)carbonyl]amino}propanoïque (non-preferred name) [French] [ACD/IUPAC Name]
N-Fmoc-4-(3,4-dichlorophenyl)-L-phenylalanine
(2S)-3-{3',4'-dichloro-[1,1'-biphenyl]-4-yl}-2-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)propanoic acid
(2S)-3-{3',4'-dichloro-[1,1'-biphenyl]-4-yl}-2-{[(9H-fluoren-9-ylmethoxy)carbonyl]amino}propanoic acid

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

Density: 1.4±0.1 g/cm3
Boiling Point: 737.5±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 112.9±3.0 kJ/mol
Flash Point: 399.8±32.9 °C
Index of Refraction: 1.648
Molar Refractivity: 142.8±0.3 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: 8.17
ACD/LogD (pH 5.5): 5.28
ACD/BCF (pH 5.5): 1812.69
ACD/KOC (pH 5.5): 1781.57
ACD/LogD (pH 7.4): 3.88
ACD/BCF (pH 7.4): 72.53
ACD/KOC (pH 7.4): 71.28
Polar Surface Area: 76 Å2
Polarizability: 56.6±0.5 10-24cm3
Surface Tension: 57.1±3.0 dyne/cm
Molar Volume: 392.6±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement