Quercimeritrin
2-(3,4-dihydroxyphenyl)-3,5-dihydroxy-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,3-dihydrochromen-4-one
Also Known As: Quercimeritrin|Quercetin-7-glucoside|2-(3,4-dihydroxyphenyl)-3,5-dihydroxy-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,3-dihydrochromen-4-one
CAS: 491-50-9
| Molecular Formula | C21H22O12 |
|---|---|
| Molecular Weight | 466.1111 g/mol |
| LogP | -0.3 |
| Topological Polar Surface Area | 207.0 Ų |
| Hydrogen Bond Donors | 8 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 4 |
| Exact Mass | 466.1111 |
| Monoisotopic Mass | 466.1111 |
| Heavy Atoms | 33 |
| Complexity | 692.0 |
Chemical Identifiers
| CAS Number | 491-50-9 |
|---|---|
| SMILES | C1=CC(=C(C=C1C2C(C(=O)C3=C(C=C(C=C3O2)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O)O)O)O |
| InChIKey | BJAHHJOBSKZTFE-QOFRXWOZSA-N |
Product Overview
Quercimeritrin (CAS 491-50-9), with molecular formula C21H22O12 and molecular weight 466.1111 g/mol. IUPAC: 2-(3,4-dihydroxyphenyl)-3,5-dihydroxy-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,3-dihydrochromen-4-one.
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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