(S)-3-((((9H-Fluoren-9-yl)methoxy)carbonyl)amino)-3-(2-fluorophenyl)propanoic acid

Base Information

• Chemical Name: (S)-3-((((9H-Fluoren-9-yl)methoxy)carbonyl)amino)-3-(2-fluorophenyl)propanoic acid
• CAS No.: 507472-13-1
• Molecular Formula: C24H20FNO4
• Molecular Weight: 405.42
• Hs Code.: 2924299090
• European Community (EC) Number: 843-706-1
• DSSTox Substance ID: DTXSID30427504
• Wikidata: Q82240161
• Mol file: 507472-13-1.mol

Synonyms:507472-13-1;(S)-3-((((9H-Fluoren-9-yl)methoxy)carbonyl)amino)-3-(2-fluorophenyl)propanoic acid;Fmoc-(S)-3-Amino-3-(2-fluoro-phenyl)-propionic acid;Fmoc-2-Fluoro-L-b-phenylalanine;(3S)-3-(9H-fluoren-9-ylmethoxycarbonylamino)-3-(2-fluorophenyl)propanoic acid;(3S)-3-({[(9H-Fluoren-9-yl)methoxy]carbonyl}amino)-3-(2-fluorophenyl)propanoic acid;Fmoc-(S)-3-amino-3-(2-fluorophenyl)propionic acid;DTXSID30427504;MFCD03427993;AKOS016843770;AC-22032;AC-25385;PS-12361;CS-0181546;A50466;EN300-1162858;fmoc-(s)-3-amino-3-(2-fluorophenyl)propanoic acid;Fmoc-(S)-3-Amino-3-(2,3-Difluorophenyl)-propionic acid

Chemical Property of (S)-3-((((9H-Fluoren-9-yl)methoxy)carbonyl)amino)-3-(2-fluorophenyl)propanoic acid

Chemical Property:

• Vapor Pressure: 6.82E-16mmHg at 25°C
• Refractive Index: 1.621
• Boiling Point: 613.2°C at 760 mmHg
• PKA: 4.27±0.10(Predicted)
• Flash Point: 324.7°C
• PSA: 75.63000
• Density: 1.316g/cm³
• LogP: 5.27110
• Storage Temp.: 2-8°C
• XLogP3: 4.2
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 7
• Exact Mass: 405.13763628
• Heavy Atom Count: 30
• Complexity: 592

Purity/Quality:

98%min ^*data from raw suppliers

(S)-3-((((9H-Fluoren-9-yl)methoxy)carbonyl)amino)-3-(2-fluorophenyl)propanoicacid 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C2C(=C1)C(C3=CC=CC=C32)COC(=O)NC(CC(=O)O)C4=CC=CC=C4F
• Isomeric SMILES: C1=CC=C2C(=C1)C(C3=CC=CC=C32)COC(=O)N[C@@H](CC(=O)O)C4=CC=CC=C4F