| CAS Number | 1604798-48-2 |
| Catalog Number | AG01EKZD |
| Chemical Name | (2S)-2-Amino-3-[4-(dihydroxyboranyl)-2-fluorophenyl]propanoic acid |
| IUPAC Name | (2S)-2-amino-3-(4-borono-2-fluorophenyl)propanoic acid |
| InChI | InChI=1S/C9H11BFNO4/c11-7-4-6(10(15)16)2-1-5(7)3-8(12)9(13)14/h1-2,4,8,15-16H,3,12H2,(H,13,14)/t8-/m0/s1 |
| InChI Key | GGGVVBGRTWMSPX-QMMMGPOBSA-N |
| MDL Number | MFCD28049268 |
| Molecular Formula | C9H11BFNO4 |
| Molecular Weight | 226.9973 |
| SMILES | N[C@H](C(=O)O)CC1=C(C=C(C=C1)B(O)O)F |
| Synonyms | (18F)-(10B)-L-BPA,
18F-10B-FBPA,
4-BF-Phe,
4-borono-2-(18F)fluoro-DL-phenylalanine,
4-borono-2-fluoro-L-phenylalanine,
4-borono-2-fluorophenylalanine,
fluoroboronophenylalanine,
4-Borono-2-fluorophenylalanine,
133921-60-5,
Phenylalanine,4-borono-2-(fluoro-18F)- (9CI),
CTK4B8877,
ZINC195751897,
4-(Dihydroxyboryl)-2-fluoro-L-phenylalanine,
(2S)-2-AMINO-3-[4-(DIHYDROXYBORANYL)-2-FLUOROPHENYL]PROPANOIC ACID,
1604798-48-2,
|
| Complexity | 254 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 227.077g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 4 |
| Isotope Atom Count | 0 |
| Molecular Weight | 226.998g/mol |
| Monoisotopic Mass | 227.077g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 104A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number