(5xi)-2,3,4,6-tetra-O-acetyl-N-(8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocine-3(4H)-carbothioyl)hexopyranosylamine
Chemical Structure Depiction of
(5xi)-2,3,4,6-tetra-O-acetyl-N-(8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocine-3(4H)-carbothioyl)hexopyranosylamine
(5xi)-2,3,4,6-tetra-O-acetyl-N-(8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocine-3(4H)-carbothioyl)hexopyranosylamine
Compound characteristics
| Compound ID: | 8020-4186 |
| Compound Name: | (5xi)-2,3,4,6-tetra-O-acetyl-N-(8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocine-3(4H)-carbothioyl)hexopyranosylamine |
| Molecular Weight: | 579.63 |
| Molecular Formula: | C26 H33 N3 O10 S |
| Smiles: | CC(=O)OCC1[C@H](C(C([C@H](NC(N2CC3CC(C2)C2=CC=CC(N2C3)=O)=S)O1)OC(C)=O)OC(C)=O)OC(C)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 1.7881 |
| logD: | 1.7881 |
| logSw: | -2.1938 |
| Hydrogen bond acceptors count: | 17 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 118.646 |
| InChI Key: | ITBCUZYZDCZFBT-TYBBLVNBSA-N |