| CAS Number | 1217801-96-1 |
| Catalog Number | AG009G75(AGN-PC-0WBOAS) |
| Chemical Name | erythro-N-Boc-L-3-bromophenylalanine epoxide |
| IUPAC Name | tert-butyl N-[(1S)-2-(3-bromophenyl)-1-[(2S)-oxiran-2-yl]ethyl]carbamate |
| InChI | InChI=1S/C15H20BrNO3/c1-15(2,3)20-14(18)17-12(13-9-19-13)8-10-5-4-6-11(16)7-10/h4-7,12-13H,8-9H2,1-3H3,(H,17,18)/t12-,13+/m0/s1 |
| InChI Key | SSWNVKAEOHGSDS-QWHCGFSZSA-N |
| MDL Number | MFCD08061629 |
| Molecular Formula | C15H20BrNO3 |
| Molecular Weight | 342.2282 |
| SMILES | O=C(OC(C)(C)C)N[C@H]([C@H]1CO1)Cc1cccc(c1)Br |
| Synonyms | 1217801-96-1,
erythro-N-Boc-L-3-bromophenylalanine epoxide,
tert-Butyl ((S)-2-(3-bromophenyl)-1-((S)-oxiran-2-yl)ethyl)carbamate,
C15H20BrNO3,
DTXSID10592360,
1316AD,
MFCD08061629,
ZINC12351561,
AKOS015950209,
tert-Butyl {(1S)-2-(3-bromophenyl)-1-[(2S)-oxiran-2-yl]ethyl}carbamate,
tert-Butyl((S)-2-(3-bromophenyl)-1-((S)-oxiran-2-yl)ethyl)carbamate,
|
| Complexity | 343 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 2 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 341.063g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 20 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 342.233g/mol |
| Monoisotopic Mass | 341.063g/mol |
| Rotatable Bond Count | 6 |
| Topological Polar Surface Area | 50.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number