Cardinalic acid
4-oxo-8-[(3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1H-quinoline-2-carboxylic acid
Also Known As: Cardinalic acid|xanthurenicacid8-O-glucoside|Xanthurenic acid 8-O-glucoside|C16N17NO9|Xanthurenic acid 8-O-beta-D-glucoside|8-(beta-D-glucopyranosyloxy)-4-hydroxy-2-quinolinecarboxylic acid
CAS: 97451-32-6
| Molecular Formula | C16H17NO9 |
|---|---|
| Molecular Weight | 367.09033 g/mol |
| LogP | -0.9 |
| Topological Polar Surface Area | 166.0 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 4 |
| Exact Mass | 367.09033 |
| Monoisotopic Mass | 367.09033 |
| Heavy Atoms | 26 |
| Complexity | 594.0 |
Chemical Identifiers
| CAS Number | 97451-32-6 |
|---|---|
| SMILES | C1=CC2=C(C(=C1)OC3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)NC(=CC2=O)C(=O)O |
| InChIKey | MYFHOUJDPFBJLH-VQKLLNHBSA-N |
Product Overview
Cardinalic acid (CAS 97451-32-6), with molecular formula C16H17NO9 and molecular weight 367.09033 g/mol. IUPAC: 4-oxo-8-[(3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1H-quinoline-2-carboxylic acid.
Safety Data Sheet (MSDS / SDS)
View the Laboratory Chemical Safety Summary (LCSS) on PubChem — includes GHS classifications, hazard statements, first aid measures, and handling precautions.
View MSDS →
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