(5xi)-2,3,4,6-tetra-O-acetyl-N-[(5-bromopyridin-2-yl)carbamothioyl]hexopyranosylamine
Chemical Structure Depiction of
(5xi)-2,3,4,6-tetra-O-acetyl-N-[(5-bromopyridin-2-yl)carbamothioyl]hexopyranosylamine
(5xi)-2,3,4,6-tetra-O-acetyl-N-[(5-bromopyridin-2-yl)carbamothioyl]hexopyranosylamine
Compound characteristics
| Compound ID: | 8020-3015 |
| Compound Name: | (5xi)-2,3,4,6-tetra-O-acetyl-N-[(5-bromopyridin-2-yl)carbamothioyl]hexopyranosylamine |
| Molecular Weight: | 562.39 |
| Molecular Formula: | C20 H24 Br N3 O9 S |
| Smiles: | CC(=O)OCC1[C@H](C(C([C@H](NC(Nc2ccc(cn2)[Br])=S)O1)OC(C)=O)OC(C)=O)OC(C)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 2.5305 |
| logD: | 2.53 |
| logSw: | -2.7954 |
| Hydrogen bond acceptors count: | 16 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 120.576 |
| InChI Key: | QACCEXUDTIMBQQ-TVHVFUKBSA-N |