1,3-benzothiazol-2-yl 2,3,4,6-tetra-O-acetyl-1-thiohexopyranoside
Chemical Structure Depiction of
1,3-benzothiazol-2-yl 2,3,4,6-tetra-O-acetyl-1-thiohexopyranoside
1,3-benzothiazol-2-yl 2,3,4,6-tetra-O-acetyl-1-thiohexopyranoside
Compound characteristics
| Compound ID: | 8013-2313 |
| Compound Name: | 1,3-benzothiazol-2-yl 2,3,4,6-tetra-O-acetyl-1-thiohexopyranoside |
| Molecular Weight: | 497.54 |
| Molecular Formula: | C21 H23 N O9 S2 |
| Smiles: | CC(=O)OC[C@@H]1[C@H]([C@@H]([C@H](C(O1)Sc1nc2ccccc2s1)OC(C)=O)OC(C)=O)OC(C)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.0663 |
| logD: | 3.0663 |
| logSw: | -3.0427 |
| Hydrogen bond acceptors count: | 15 |
| Polar surface area: | 99.43 |
| InChI Key: | RBALNWWQAAOZFJ-ALIHTEIXSA-N |