| CAS Number | 1013028-26-6 |
| Catalog Number | AG01DFCP |
| Chemical Name | 3-tert-Butyl 4-Methyl (4R,5S)-2,2,5-Trimethyloxazolidine-3,4-dicarboxylate |
| IUPAC Name | 3-O-tert-butyl 4-O-methyl (4S,5R)-2,2,5-trimethyl-1,3-oxazolidine-3,4-dicarboxylate |
| InChI | InChI=1S/C13H23NO5/c1-8-9(10(15)17-7)14(13(5,6)18-8)11(16)19-12(2,3)4/h8-9H,1-7H3/t8-,9+/m1/s1 |
| InChI Key | FRSJJRXFHYGDSO-BDAKNGLRSA-N |
| MDL Number | MFCD21609189 |
| Molecular Formula | C13H23NO5 |
| Molecular Weight | 273.3254 |
| SMILES | CC1(O[C@H]([C@@H](N1C(=O)OC(C)(C)C)C(=O)OC)C)C |
| Synonyms | SCHEMBL3735325,
(4R,5S)-3-tert-Butyl 4-methyl 2,2,5-trimethyloxazolidine-3,4-dicarboxylate,
ZINC32629078,
AJ-85453,
(4S)-2,2,5beta-Trimethyloxazolidine-3,4alpha-dicarboxylic acid 3-tert-butyl 4-methyl ester,
1013028-26-6,
CID10923726,
Tert-butyl Methyl (4S,5R)-2,2,5-trimethyl-1,3-oxazolidine-3,4-dicarboxylate,
|
| Complexity | 372 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 2 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 273.158g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 273.329g/mol |
| Monoisotopic Mass | 273.158g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 65.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.8 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number