| CAS Number | 1265908-02-8 |
| Catalog Number | AG00HRIN(AGN-PC-0WC7FE) |
| Chemical Name | (4S)-2-(2-hydroxy-3-methoxyphenyl)-1,3-thiazolidine-4-carboxylic acid |
| IUPAC Name | (4S)-2-(2-hydroxy-3-methoxyphenyl)-1,3-thiazolidine-4-carboxylic acid |
| InChI | InChI=1S/C11H13NO4S/c1-16-8-4-2-3-6(9(8)13)10-12-7(5-17-10)11(14)15/h2-4,7,10,12-13H,5H2,1H3,(H,14,15)/t7-,10?/m1/s1 |
| InChI Key | UONSFKQBHNZYMD-PVSHWOEXSA-N |
| MDL Number | MFCD15730789 |
| Molecular Formula | C11H13NO4S |
| Molecular Weight | 255.2902 |
| SMILES | COC1=C(O)C(C2SC[C@H](C(O)=O)N2)=CC=C1 |
| Synonyms | (4S)-2-(2-hydroxy-3-methoxyphenyl)-1,3-thiazolidine-4-carboxylic acid,
1265908-02-8,
ALBB-015874,
MFCD15730789,
AKOS005175181,
T3882,
Z2182115400,
4-thiazolidinecarboxylic acid, 2-(2-hydroxy-3-methoxyphenyl)-, (4S)-,
|
| Complexity | 289 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 255.057g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 255.288g/mol |
| Monoisotopic Mass | 255.057g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 104A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -1.2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number