Phosphoric Acid Mono-(2,3-Dihydroxy-4,5,6-Tris-Phosphonooxy-Cyclohexyl) Ester
Representations & DB's id
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| ChEBI: | None | |
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| ChEMBL: | CHEMBL3351092 | |
| PubChem: | 14033625 | |
| IUPAC: | [(1S,2R,3R,4R,5R,6R)-2,3-dihydroxy-4,5,6-triphosphonooxycyclohexyl] dihydrogen phosphate | |
| Standard InChI: | InChI=1S/C6H16O18P4/c7-1-2(8)4(22-26(12,13)14)6(24-28(18,19)20)5(23-27(15,16)17)3(1)21-25(9,10)11/h1-8H,(H2,9,10,11)(H2,12,13,14)(H2,15,16,17)(H2,18,19,20)/t1-,2-,3-,4+,5-,6-/m1/s1 | |
| Standard InChI Key: | MRVYFOANPDTYBY-XCMZKKERSA-N | |
| SMILES: | O[C@H]1[C@H](OP(=O)(O)O)[C@@H](OP(=O)(O)O)[C@@H]([C@@H]([C@@H]1O)OP(=O)(O)O)OP(=O)(O)O | |
Molecular propeties
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| AlogP: | -3.37 | |
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| Hydrogen bonds acceptors: | 10 | |
| Hydrogen bonds donors: | 10 | |
| Rotatable bonds: | 8 | |
| Number of rings: | 1 | |
| Molecular Weight: | 499.93 | |
| Topological polar surface area: | 308 | |
| Number of aromatic rings: | 0 | |
| Fsp3: | 1 | |
| Number of carbons: | 6 | |
In vitro data
| Activity Type | Activity Value | Target Name | UniProt ID | Ref. |
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