4-boronophenylalanine

Structure Molecule image
Relationships Total Number of functionally related protein(s) : 15
Total Number of Articles : 16
PubChem 150315
Molecular Formula

C9H12BNO4

SMILES

B(C1=CC=C(C=C1)C[C@@H](C(=O)O)N)(O)O

InChI

InChI=1S/C9H12BNO4/c11-8(9(12)13)5-6-1-3-7(4-2-6)10(14)15/h1-4,8,14-15H,5,11H2,(H,12,13)/t8-/m0/s1

synonyms
  • 4-Borono-L-phenylalanine
  • 76410-58-7
  • (s)-2-amino-3-(4-boronophenyl)propanoic acid
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Properties
Property Value
MW 209.01 g/mol
HBD 4
HBA 5
Rotatable Bond Count 4
Exact Mass 209.0859380 g/mol
Monoisotopic Mass 209.0859380 g/mol
Heavy Atom Count 15
Isotope Atom Count 0
Atom Stereo Count 1
Covalent Unit Count 1
Complexity 216
xlogp None
Topological Polar Surface Area 104