(5xi)-2,3,4,6-tetra-O-acetyl-N-[2-(pyridin-3-yl)piperidine-1-carbothioyl]hexopyranosylamine
Chemical Structure Depiction of
(5xi)-2,3,4,6-tetra-O-acetyl-N-[2-(pyridin-3-yl)piperidine-1-carbothioyl]hexopyranosylamine
(5xi)-2,3,4,6-tetra-O-acetyl-N-[2-(pyridin-3-yl)piperidine-1-carbothioyl]hexopyranosylamine
Compound characteristics
| Compound ID: | 8020-4187 |
| Compound Name: | (5xi)-2,3,4,6-tetra-O-acetyl-N-[2-(pyridin-3-yl)piperidine-1-carbothioyl]hexopyranosylamine |
| Molecular Weight: | 551.62 |
| Molecular Formula: | C25 H33 N3 O9 S |
| Smiles: | CC(=O)OCC1[C@H](C(C([C@H](NC(N2CCCCC2c2cccnc2)=S)O1)OC(C)=O)OC(C)=O)OC(C)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 1.6698 |
| logD: | 1.6698 |
| logSw: | -1.6992 |
| Hydrogen bond acceptors count: | 16 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 111.887 |
| InChI Key: | BPDBXEVYPPWFPU-DYNXZRPGSA-N |