| CAS Number | 849674-11-9 |
| Catalog Number | AG00GAII(AGN-PC-0UVZW6) |
| Chemical Name | rel-1,1-Dimethylethyl (3R,4S)-3-hydroxy-4-phenyl-1-pyrrolidinecarboxylate |
| IUPAC Name | tert-butyl 3-[bis(4-methoxyphenyl)-phenylmethoxy]-4-methylsulfonyloxypyrrolidine-1-carboxylate |
| InChI | InChI=1S/C31H37NO8S/c1-30(2,3)39-29(33)32-20-27(28(21-32)40-41(6,34)35)38-31(22-10-8-7-9-11-22,23-12-16-25(36-4)17-13-23)24-14-18-26(37-5)19-15-24/h7-19,27-28H,20-21H2,1-6H3 |
| InChI Key | FNFXANFTPUGDMK-UHFFFAOYSA-N |
| MDL Number | MFCD21608663 |
| Molecular Formula | C15H21NO3 |
| Molecular Weight | 263.3321 |
| SMILES | O[C@@H]1CN(C[C@H]1c1ccccc1)C(=O)OC(C)(C)C |
| Synonyms | 849674-11-9,
(3R,4S)-tert-Butyl 3-(bis(4-methoxyphenyl)(phenyl)methoxy)-4-((methylsulfonyl)oxy)pyrrolidine-1-carboxylate,
SCHEMBL15399941,
tert-butyl (3R,4S)-3-[bis(4-methoxyphenyl)-phenylmethoxy]-4-methylsulfonyloxypyrrolidine-1-carboxylate,
|
| Complexity | 914 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 583.224g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 41 |
| Hydrogen Bond Acceptor Count | 8 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 583.696g/mol |
| Monoisotopic Mass | 583.224g/mol |
| Rotatable Bond Count | 11 |
| Topological Polar Surface Area | 109A^2 |
| Undefined Atom Stereocenter Count | 2 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4.9 |
GHS Hazard and Precautionary Statements
| Symbol: | |
|
Hazard statements
|
|
|
Precautionary statements
|
|
Certificate of Analysis
Lot Number