3-chloro-2-hydroxypropyl 2-acetamido-3,4,6-tri-O-acetyl-2-deoxy-1-thiohexopyranoside
Chemical Structure Depiction of
3-chloro-2-hydroxypropyl 2-acetamido-3,4,6-tri-O-acetyl-2-deoxy-1-thiohexopyranoside
3-chloro-2-hydroxypropyl 2-acetamido-3,4,6-tri-O-acetyl-2-deoxy-1-thiohexopyranoside
Compound characteristics
| Compound ID: | 8013-0039 |
| Compound Name: | 3-chloro-2-hydroxypropyl 2-acetamido-3,4,6-tri-O-acetyl-2-deoxy-1-thiohexopyranoside |
| Molecular Weight: | 455.91 |
| Molecular Formula: | C17 H26 Cl N O9 S |
| Smiles: | CC(NC1C(C(C(COC(C)=O)OC1SCC(C[Cl])O)OC(C)=O)OC(C)=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 0.1164 |
| logD: | 0.1164 |
| logSw: | -1.4846 |
| Hydrogen bond acceptors count: | 14 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 111.986 |
| InChI Key: | PEYNXWFIAHBILA-UHFFFAOYSA-N |