| CAS Number | 1955473-71-8 |
| Catalog Number | AG019QF3 |
| Chemical Name | (2S,4R)-1-(4-tert-Butylbenzenesulfonyl)-4-hydroxypyrrolidine-2-carboxylic acid |
| IUPAC Name | 1-(4-tert-butylphenyl)sulfonyl-4-hydroxypyrrolidine-2-carboxylic acid |
| InChI | InChI=1S/C15H21NO5S/c1-15(2,3)10-4-6-12(7-5-10)22(20,21)16-9-11(17)8-13(16)14(18)19/h4-7,11,13,17H,8-9H2,1-3H3,(H,18,19) |
| InChI Key | LHWUEWUYTCXHHH-UHFFFAOYSA-N |
| MDL Number | MFCD09863516 |
| Molecular Formula | C15H21NO5S |
| Molecular Weight | 327.3959 |
| SMILES | CC(C1=CC=C(S(N2[C@H](C(O)=O)C[C@@H](O)C2)(=O)=O)C=C1)(C)C |
| Synonyms | 1-(4-tert-butylbenzenesulfonyl)-4-hydroxypyrrolidine-2-carboxylic acid,
1009529-98-9,
1-(4-tert-Butyl-benzenesulfonyl)-4-hydroxy-pyrrolidine-2-carboxylic acid,
(2S,4R)-1-(4-TERT-BUTYLBENZENESULFONYL)-4-HYDROXYPYRROLIDINE-2-CARBOXYLIC ACID,
1955473-71-8,
AC1Q1M5R,
AC1MW877,
CTK7J8507,
AKOS001061520,
MCULE-8373101216,
NE36927,
EN300-06244,
SR-01000044625,
SR-01000044625-1,
Z56926622,
1-(4-tert-butylphenyl)sulfonyl-4-hydroxypyrrolidine-2-carboxylic acid,
1-[(4-tert-butylbenzene)sulfonyl]-4-hydroxypyrrolidine-2-carboxylic acid,
CID3745063,
4-hydroxy-1-(4-tert-butylphenyl)sulfonyl-pyrrolidine-2-carboxylic Acid,
|
| Complexity | 511 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 327.114g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 22 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 327.395g/mol |
| Monoisotopic Mass | 327.114g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 103A^2 |
| Undefined Atom Stereocenter Count | 2 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.9 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number