| CAS Number | 114676-58-3 |
| Catalog Number | AG01AMYB(AGN-PC-0P6MJI) |
| Chemical Name | Tert-Butyl (2R,4R)-4-[(Tert-Butyldimethylsilyl)Oxy]-2-(Hydroxymethyl)Pyrrolidine-1-Carboxylate |
| IUPAC Name | tert-butyl (2R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-(hydroxymethyl)pyrrolidine-1-carboxylate |
| InChI | InChI=1S/C16H33NO4Si/c1-15(2,3)20-14(19)17-10-13(9-12(17)11-18)21-22(7,8)16(4,5)6/h12-13,18H,9-11H2,1-8H3/t12-,13-/m1/s1 |
| InChI Key | IIITUHPEBILIQR-CHWSQXEVSA-N |
| MDL Number | MFCD28403172 |
| Molecular Formula | C16H33NO4Si |
| Molecular Weight | 331.5230 |
| SMILES | O=C(N1[C@@H](CO)C[C@@H](O[Si](C)(C(C)(C)C)C)C1)OC(C)(C)C |
| Synonyms | 114676-58-3,
SCHEMBL2386707,
IIITUHPEBILIQR-CHWSQXEVSA-N,
tert-butyl (2R,4R)-4-[(tert-butyldimethylsilyl)oxy]-2-(hydroxymethyl)pyrrolidine-1-carboxylate,
ZINC197069465,
CS-0091662,
(2R,4R)-tert-Butyl 4-((tert-butyldimethylsilyl)oxy)-2-(hydroxymethyl)pyrrolidine-1-carboxylate,
tert-butyl (2R,4R) 4-(tert-butyl-dimethyl-silyl)oxy-2-(hydroxymethyl)pyrrolidine-1-carboxylate,
tert-butyl (2R,4R)-4-{[tert-butyl(dimethyl)silyl]oxy}-2-(hydroxymethyl)-pyrrolidine-1-carboxylate,
|
| Complexity | 398 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 2 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 331.218g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 22 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 331.528g/mol |
| Monoisotopic Mass | 331.218g/mol |
| Rotatable Bond Count | 6 |
| Topological Polar Surface Area | 59A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number