1-(2,3,4,6-tetra-O-acetylhexopyranosyl)-5-(1,1,1-trifluoro-2-hydroxy-3-methoxy-3-oxopropan-2-yl)-2,3-dihydro-1H-indole
Chemical Structure Depiction of
1-(2,3,4,6-tetra-O-acetylhexopyranosyl)-5-(1,1,1-trifluoro-2-hydroxy-3-methoxy-3-oxopropan-2-yl)-2,3-dihydro-1H-indole
1-(2,3,4,6-tetra-O-acetylhexopyranosyl)-5-(1,1,1-trifluoro-2-hydroxy-3-methoxy-3-oxopropan-2-yl)-2,3-dihydro-1H-indole
Compound characteristics
| Compound ID: | 8015-5023 |
| Compound Name: | 1-(2,3,4,6-tetra-O-acetylhexopyranosyl)-5-(1,1,1-trifluoro-2-hydroxy-3-methoxy-3-oxopropan-2-yl)-2,3-dihydro-1H-indole |
| Molecular Weight: | 605.52 |
| Molecular Formula: | C26 H30 F3 N O12 |
| Smiles: | CC(=O)OCC1C(C(C(C(N2CCc3cc(ccc23)C(C(=O)OC)(C(F)(F)F)O)O1)OC(C)=O)OC(C)=O)OC(C)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 2.4921 |
| logD: | 2.4697 |
| logSw: | -2.484 |
| Hydrogen bond acceptors count: | 17 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 128.839 |
| InChI Key: | IJOAIKTXOURHMD-UHFFFAOYSA-N |