| CAS Number | 2059909-34-9 |
| Catalog Number | AG01C03L |
| Chemical Name | rac-(3R,4R)-3-hydroxy-4-[(2-phenylethyl)amino]-1lambda6-thiolane-1,1-dione |
| IUPAC Name | (3S,4S)-1,1-dioxo-4-(2-phenylethylamino)thiolan-3-ol |
| InChI | InChI=1S/C12H17NO3S/c14-12-9-17(15,16)8-11(12)13-7-6-10-4-2-1-3-5-10/h1-5,11-14H,6-9H2/t11-,12-/m1/s1 |
| InChI Key | AZXCYZDDEDMKGM-VXGBXAGGSA-N |
| MDL Number | MFCD30530222 |
| Molecular Formula | C12H17NO3S |
| Molecular Weight | 255.3333 |
| SMILES | O[C@H]1[C@H](NCCC2=CC=CC=C2)CS(=O)(=O)C1 |
| Synonyms | (3S,4S)-3-hydroxy-4-[(2-phenylethyl)amino]-1lambda6-thiolane-1,1-dione,
2059909-34-9,
AC1O6LIP,
ZINC4041072,
AKOS034816712,
(3S,4S)-1,1-dioxo-4-(phenethylamino)thiolan-3-ol,
F6545-5137,
Z2694742528,
rac-(3R,4R)-3-hydroxy-4-[(2-phenylethyl)amino]-1lambda6-thiolane-1,1-dione, trans,
CID6555978,
BAS 03013070,
|
| Complexity | 330 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 2 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 255.093g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 255.332g/mol |
| Monoisotopic Mass | 255.093g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 74.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number