| CAS Number | 1217636-74-2 |
| Catalog Number | AG00HGDF(AGN-PC-0WR0DV) |
| Chemical Name | Threo-N-boc-L-homophenylalanine epoxide |
| IUPAC Name | tert-butyl N-[(1S)-1-[(2R)-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-KBPBESRZSA-N |
| MDL Number | MFCD08061634 |
| Molecular Formula | C16H23NO3 |
| Molecular Weight | 277.3587 |
| SMILES | CC(C)(C)OC(=O)NC(CCC1=CC=CC=C1)C2CO2 |
| Synonyms | threo-N-Boc-L-homophenylalanine epoxide,
1217636-74-2,
tert-Butyl ((S)-1-((R)-oxiran-2-yl)-3-phenylpropyl)carbamate,
DTXSID10654730,
7787AH,
MFCD08061634,
ZINC12351577,
PS-12903,
4,5-Anhydro-3-[(tert-butoxycarbonyl)amino]-1,2,3-trideoxy-1-phenyl-L-threo-pentitol,
C16H23NO3,
tert-Butyl((S)-1-((R)-oxiran-2-yl)-3-phenylpropyl)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