(2S,3S,4S,5R)-3,4,5,6-Tetrahydroxyoxane-2-Carboxylic Acid
Representations & DB's id
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| ChEBI: | CHEBI:47952 | |
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| ChEMBL: | CHEMBL496672 | |
| PubChem: | 94715 | |
| IUPAC: | (2S,3S,4S,5R)-3,4,5,6-tetrahydroxyoxane-2-carboxylic acid | |
| Standard InChI: | InChI=1S/C6H10O7/c7-1-2(8)4(5(10)11)13-6(12)3(1)9/h1-4,6-9,12H,(H,10,11)/t1-,2-,3+,4-,6?/m0/s1 | |
| Standard InChI Key: | AEMOLEFTQBMNLQ-AQKNRBDQSA-N | |
| SMILES: | OC1O[C@H](C(=O)O)[C@H]([C@@H]([C@H]1O)O)O | |
Molecular propeties
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| AlogP: | -3.13 | |
|---|---|---|
| Hydrogen bonds acceptors: | 6 | |
| Hydrogen bonds donors: | 5 | |
| Rotatable bonds: | 1 | |
| Number of rings: | 1 | |
| Molecular Weight: | 194.04 | |
| Topological polar surface area: | 127 | |
| Number of aromatic rings: | 0 | |
| Fsp3: | 0.833 | |
| Number of carbons: | 6 | |
In vitro data
| Activity Type | Activity Value | Target Name | UniProt ID | Ref. |
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