1,5-Anhydrosorbitol
Representations & DB's id
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| ChEBI: | CHEBI:16070 | |
|---|---|---|
| ChEMBL: | CHEMBL344637 | |
| PubChem: | 64960 | |
| IUPAC: | (2R,3S,4R,5S)-2-(hydroxymethyl)oxane-3,4,5-triol | |
| Standard InChI: | InChI=1S/C6H12O5/c7-1-4-6(10)5(9)3(8)2-11-4/h3-10H,1-2H2/t3-,4+,5+,6+/m0/s1 | |
| Standard InChI Key: | MPCAJMNYNOGXPB-SLPGGIOYSA-N | |
| SMILES: | OC[C@H]1OC[C@@H]([C@H]([C@@H]1O)O)O | |
Molecular propeties
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| AlogP: | -2.54 | |
|---|---|---|
| Hydrogen bonds acceptors: | 5 | |
| Hydrogen bonds donors: | 4 | |
| Rotatable bonds: | 1 | |
| Number of rings: | 1 | |
| Molecular Weight: | 164.07 | |
| Topological polar surface area: | 90.2 | |
| Number of aromatic rings: | 0 | |
| Fsp3: | 1 | |
| Number of carbons: | 6 | |
Plant sources
In vitro data
| Activity Type | Activity Value | Target Name | UniProt ID | Ref. |
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