| CAS Number | 28307-08-6 |
| Catalog Number | AG00BDUL(AGN-PC-0R3V5N) |
| Chemical Name | Boc-Thr-Onp |
| IUPAC Name | (4-nitrophenyl) (2S,3R)-3-hydroxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate |
| InChI | InChI=1S/C15H20N2O7/c1-9(18)12(16-14(20)24-15(2,3)4)13(19)23-11-7-5-10(6-8-11)17(21)22/h5-9,12,18H,1-4H3,(H,16,20)/t9-,12+/m1/s1 |
| InChI Key | IURWBXFMOUSMJX-SKDRFNHKSA-N |
| MDL Number | MFCD00190835 |
| Molecular Formula | C15H20N2O7 |
| Molecular Weight | 340.3285 |
| SMILES | C[C@H]([C@@H](C(=O)Oc1ccc(cc1)[N+](=O)[O-])NC(=O)OC(C)(C)C)O |
| Synonyms | BOC-THR-ONP,
28307-08-6,
ZINC2556564,
6449AH,
MFCD00190835,
AKOS027340149,
K-7063,
L-Threonine,N-[(1,1-dimethylethoxy)carbonyl]-,4-nitrophenyl ester,
(2S,3R)-4-nitrophenyl 2-(tert-butoxycarbonylamino)-3-hydroxybutanoate,
C15H20N2O7,
L-Threonine,N-[(1,1-dimethylethoxy)carbonyl]-, 4-nitrophenyl ester,
|
| Complexity | 461 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 2 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 340.127g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 24 |
| Hydrogen Bond Acceptor Count | 7 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 340.332g/mol |
| Monoisotopic Mass | 340.127g/mol |
| Rotatable Bond Count | 7 |
| Topological Polar Surface Area | 131A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number