| CAS Number | 96099-84-2 |
| Catalog Number | AG00IJS1(AGN-PC-0OOAFH) |
| Chemical Name | D-Threonine, N-[(1,1-dimethylethoxy)carbonyl]-, methyl ester |
| IUPAC Name | methyl (2R,3S)-3-hydroxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate |
| InChI | InChI=1S/C10H19NO5/c1-6(12)7(8(13)15-5)11-9(14)16-10(2,3)4/h6-7,12H,1-5H3,(H,11,14)/t6-,7+/m0/s1 |
| InChI Key | MZMWAPNVRMDIPS-NKWVEPMBSA-N |
| MDL Number | MFCD01073763 |
| Molecular Formula | C10H19NO5 |
| Molecular Weight | 233.2616 |
| SMILES | C[C@H](O)[C@@H](NC(OC(C)(C)C)=O)C(OC)=O |
| Synonyms | Boc-D-Thr-OMe,
96099-84-2,
D-Threonine, N-[(1,1-dimethylethoxy)carbonyl]-, methyl ester,
SCHEMBL5886446,
N-Boc-D-threonine Methyl Ester,
ZINC4977486,
AKOS024386619,
ST51038419,
n-(tert-butoxycarbonyl)-d-threonine methyl ester,
methyl (3S,2R)-2-[(tert-butoxy)carbonylamino]-3-hydroxybutanoate,
B5537,
|
| Complexity | 258 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 2 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 233.126g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 233.264g/mol |
| Monoisotopic Mass | 233.126g/mol |
| Rotatable Bond Count | 6 |
| Topological Polar Surface Area | 84.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.6 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number