3,4-bis[(2,3,4,6-tetra-O-acetylhexopyranosyl)oxy]benzoic acid
Chemical Structure Depiction of
3,4-bis[(2,3,4,6-tetra-O-acetylhexopyranosyl)oxy]benzoic acid
3,4-bis[(2,3,4,6-tetra-O-acetylhexopyranosyl)oxy]benzoic acid
Compound characteristics
| Compound ID: | 8006-1016 |
| Compound Name: | 3,4-bis[(2,3,4,6-tetra-O-acetylhexopyranosyl)oxy]benzoic acid |
| Molecular Weight: | 814.71 |
| Molecular Formula: | C35 H42 O22 |
| Smiles: | CC(=O)OCC1C(C(C(C(O1)Oc1ccc(cc1OC1C(C(C(C(COC(C)=O)O1)OC(C)=O)OC(C)=O)OC(C)=O)C(O)=O)OC(C)=O)OC(C)=O)OC(C)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 1.7485 |
| logD: | -0.2994 |
| logSw: | -1.9025 |
| Hydrogen bond acceptors count: | 31 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 224.616 |
| InChI Key: | BPFJRMTYGJYKQJ-UHFFFAOYSA-N |