Showing Metabocard for (3S,4R)-3,4-dihydroxycyclohexa-1,5-diene-1,4-dicarboxylate (BASm0002673)
| Common Name | (3s,4r)-3,4-dihydroxycyclohexa-1,5-diene-1,4-dicarboxylate |
|---|---|
| Description | Not Available |
| Structure | |
| Molecular Formula | C8H6O6 |
| Average Mass | 198.13100 |
| Monoisotopic Mass | 198.01754 |
| IUPAC Name | Not Available |
| Traditional Name | Not Available |
| CAS Registry Number | Not Available |
| SMILES | O=C([O-])C1=C[C@H](O)[C@@](O)(C(=O)[O-])C=C1 |
| InChI Identifier | InChI=1S/C8H8O6/c9-5-3-4(6(10)11)1-2-8(5,14)7(12)13/h1-3,5,9,14H,(H,10,11)(H,12,13)/p-2/t5-,8+/m0/s1 |
| InChI Key | UKFMEOHAOCKDOL-YLWLKBPMSA-L |
| CHEBI ID | CHEBI:57412 |
| MiMeDB ID | MMDBc0054917 |
| State | Expected Solid |
| Water Solubility | Not Available |
| logS | Not Available |
| pKa (Strongest Acidic) | Not Available |
| pKa (Strongest Basic) | Not Available |
| Hydrogen Acceptor Count | Not Available |
| Hydrogen Donor Count | Not Available |
| Rotatable Bond Count | Not Available |
| Physiological Charge | Not Available |
| Formal Charge | Not Available |
| Polarizability | Not Available |