Fmoc-(S)-3-Amino-3-(4-hydroxy-phenyl)-propionic acid

Base Information

• Chemical Name: Fmoc-(S)-3-Amino-3-(4-hydroxy-phenyl)-propionic acid
• CAS No.: 501015-33-4
• Molecular Formula: C24H21NO5
• Molecular Weight: 403.43
• Hs Code.: 2924299090
• DSSTox Substance ID: DTXSID601136062
• Mol file: 501015-33-4.mol

Synonyms:501015-33-4;Fmoc-(S)-3-Amino-3-(4-hydroxy-phenyl)-propionic acid;Fmoc-4-hydroxy-L-b-phenylalanine;(S)-3-((((9H-Fluoren-9-yl)methoxy)carbonyl)amino)-3-(4-hydroxyphenyl)propanoic acid;Fmoc-(S)-3-amino-3-(4-hydroxyphenyl)propionic acid;(3S)-3-(9H-fluoren-9-ylmethoxycarbonylamino)-3-(4-hydroxyphenyl)propanoic acid;(3S)-3-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)-3-(4-hydroxyphenyl)propanoic acid;FMOC-L-BETA-TYR-OH;DTXSID601136062;FMOC-L-BETA-PHE(4-OH)-OH;MFCD03427979;AKOS025401770;AC-25424;AS-69229;CS-0179097;A50465;fmoc-(s)-3-amino-3-(4-hydroxyphenyl)propanoic acid;Fmoc-(S)-3-Amino-3-(4-hydroxy-phenyl)propionic acid;(betaS)-beta-[[(9H-Fluoren-9-ylmethoxy)carbonyl]amino]-4-hydroxybenzenepropanoic acid

Chemical Property of Fmoc-(S)-3-Amino-3-(4-hydroxy-phenyl)-propionic acid

Chemical Property:

• Boiling Point: 665.0±55.0 °C(Predicted)
• PKA: 4.36±0.10(Predicted)
• PSA: 95.86000
• Density: 1.334±0.06 g/cm3(Predicted)
• LogP: 4.83760
• XLogP3: 3.7
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 7
• Exact Mass: 403.14197277
• Heavy Atom Count: 30
• Complexity: 580

Purity/Quality:

98%min ^*data from raw suppliers

(S)-3-((((9H-Fluoren-9-yl)methoxy)carbonyl)amino)-3-(4-hydroxyphenyl)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=C(C=C4)O
• Isomeric SMILES: C1=CC=C2C(=C1)C(C3=CC=CC=C32)COC(=O)N[C@@H](CC(=O)O)C4=CC=C(C=C4)O