| CAS Number | 799559-75-4 |
| Catalog Number | AG00ID2V(AGN-PC-0UFST8) |
| Chemical Name | erythro-N-Boc-L-homophenylalanine epoxide |
| IUPAC Name | tert-butyl N-[(1S)-1-[(2S)-oxiran-2-yl]-3-phenylpropyl]carbamate |
| InChI | InChI=1S/C16H23NO3/c1-16(2,3)20-15(18)17-13(14-11-19-14)10-9-12-7-5-4-6-8-12/h4-8,13-14H,9-11H2,1-3H3,(H,17,18)/t13-,14+/m0/s1 |
| InChI Key | QBDJHEUSBYIOGK-UONOGXRCSA-N |
| MDL Number | MFCD08061632 |
| Molecular Formula | C16H23NO3 |
| Molecular Weight | 277.3587 |
| SMILES | CC(C)(C)OC(=O)N[C@@H](CCC1=CC=CC=C1)[C@H]1CO1 |
| Synonyms | erythro-N-Boc-L-homophenylalanine epoxide,
799559-75-4,
6668AH,
MFCD08061632,
ZINC12351572,
AKOS015950226,
PS-12902,
D-erythro-Pentitol,4,5-anhydro-1,2,3-trideoxy-3-[[(1,1-dimethylethoxy)carbonyl]amino]-1-phenyl-,
C16H23NO3,
CID11821906,
Tert-butyl N-[(1S)-1-[(2R)-oxiran-2-yl]-3-phenyl-propyl]carbamate,
|
| Complexity | 318 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 2 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 277.168g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 20 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 277.364g/mol |
| Monoisotopic Mass | 277.168g/mol |
| Rotatable Bond Count | 7 |
| Topological Polar Surface Area | 50.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number