(5xi)-2,3,4,6-tetra-O-acetyl-N-[(4-amino-3,5-dibromophenyl)carbamothioyl]hexopyranosylamine
Chemical Structure Depiction of
(5xi)-2,3,4,6-tetra-O-acetyl-N-[(4-amino-3,5-dibromophenyl)carbamothioyl]hexopyranosylamine
(5xi)-2,3,4,6-tetra-O-acetyl-N-[(4-amino-3,5-dibromophenyl)carbamothioyl]hexopyranosylamine
Compound characteristics
| Compound ID: | 8020-4185 |
| Compound Name: | (5xi)-2,3,4,6-tetra-O-acetyl-N-[(4-amino-3,5-dibromophenyl)carbamothioyl]hexopyranosylamine |
| Molecular Weight: | 655.32 |
| Molecular Formula: | C21 H25 Br2 N3 O9 S |
| Smiles: | CC(=O)OCC1[C@H](C(C([C@H](NC(Nc2cc(c(c(c2)[Br])N)[Br])=S)O1)OC(C)=O)OC(C)=O)OC(C)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 2.6603 |
| logD: | 2.6602 |
| logSw: | -2.9822 |
| Hydrogen bond acceptors count: | 15 |
| Hydrogen bond donors count: | 4 |
| Polar surface area: | 130.257 |
| InChI Key: | RAQHNWWPQJUHKT-UGKVVGMESA-N |