ATA fraction 8, ammonium salt
5-[bis(3-carboxy-4-hydroxyphenyl)methyl]-2-hydroxybenzoic acid
Also Known As: TriCOOHtriOHPhMe|ACMC-20cjec|ATA fraction 8, ammonium salt|ATA fraction 8,ammonium salt|Benzoic acid, 3,3',3''-methylidynetris(6-hydroxy-|3,3',3''-Methylidynetris(6-hydroxybenzoic acid)|3,3',3''-methanetriyltris(6-hydroxybenzoic acid)|Benzoic acid,3,3',3''-methylidynetris[6-hydroxy-|5-[bis(3-carboxy-4-hydroxyphenyl)methyl]-2-hydroxybenzoic acid|Benzoic acid, 3,3',3''-methylidynetris[6-hydroxy-|3,3',3''-Tricarboxy-4,4',4''-trihydroxytriphenylmethane|5,5 ,5 -Methylidynetris(2-hydroxybenzoic acid)|5-[bis(3-carboxy-4-hydroxy-phenyl)methyl]-2-hydroxy-benzoic acid|3,3'-[(3-carboxy-4-oxocyclohexa-2,5-dien-1-ylidene)methylene]bis(6-hydroxybenzoic acid)|QU4
| Molecular Formula | C22H16O9 |
|---|---|
| Molecular Weight | 424.07944 g/mol |
| LogP | 4.5 |
| Topological Polar Surface Area | 173.0 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 6 |
| Exact Mass | 424.07944 |
| Monoisotopic Mass | 424.07944 |
| Heavy Atoms | 31 |
| Complexity | 590.0 |
Chemical Identifiers
| CAS Number | 13017-60-2 |
|---|---|
| SMILES | C1=CC(=C(C=C1C(C2=CC(=C(C=C2)O)C(=O)O)C3=CC(=C(C=C3)O)C(=O)O)C(=O)O)O |
| InChIKey | WDHMZEQRWAWXPD-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
ATA fraction 8, ammonium salt (CAS 13017-60-2), with molecular formula C22H16O9 and molecular weight 424.07944 g/mol. IUPAC: 5-[bis(3-carboxy-4-hydroxyphenyl)methyl]-2-hydroxybenzoic acid.
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