Rutin
2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-2-yl]oxychromen-4-one
Also Known As: RUTIN|rutoside|Phytomelin|Birutan|Sophorin|Quercetin 3-rutinoside|Myrticolorin|Globulariacitrin|Paliuroside|Ilixanthin|Osyritrin|Tanrutin|Eldrin|Rutin trihydrate|Globularicitrin|Bioflavonoid|Yunxianggan|Venoruton|Rutabion|Rutosido|Rutine|Violaquercitrin|Rutosidum|Rutinum|Rutozyd|Melin|Rutinic acid|Birutan Forte|3-Rutinosyl quercetin|Violaquercetrin|Novarrutina|Oxyritin|Rutosid|Quercetin-3-rutinoside|Vitamin P|Rutinion acid|Troxerutin|Birutin|Quercetin 3-O-rutinoside|Rutin hydrate|3-Rhamnoglucosylquercetin|Bioflavonoids|Flavonoids|Myrticalorin|Neoisorutin|Rutinoside|Flavonoid|Ilixathin|Osyritin
| Molecular Formula | C27H30O16 |
|---|---|
| Molecular Weight | 610.1534 g/mol |
| LogP | -1.6871 |
| Topological Polar Surface Area | 269.43 Ų |
| Hydrogen Bond Donors | 10 |
| Hydrogen Bond Acceptors | 16 |
| Rotatable Bonds | 6 |
| Exact Mass | 610.1534 |
| Monoisotopic Mass | 610.1534 |
| Heavy Atoms | 43 |
| Complexity | 1539.635 |
Chemical Identifiers
| CAS Number | 56764-99-9 |
|---|---|
| SMILES | C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)OC[C@@H]2[C@H]([C@@H]([C@H]([C@@H](O2)OC3=C(OC4=CC(=CC(=C4C3=O)O)O)C5=CC(=C(C=C5)O)O)O)O)O)O)O)O |
Product Overview
Rutin (CAS 56764-99-9), with molecular formula C27H30O16 and molecular weight 610.1534 g/mol. IUPAC: 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-2-yl]oxychromen-4-one.
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