Quercetin-7-o-rutinoside

Base Information

• Chemical Name: Quercetin-7-o-rutinoside
• CAS No.: 147714-62-3
• Molecular Formula: C27H30O16
• Molecular Weight: 610.5
• DSSTox Substance ID: DTXSID701313150
• Nikkaji Number: J2.221.240K
• Wikidata: Q104401926
• Mol file: 147714-62-3.mol

Synonyms:Quercetin-7-o-rutinoside;147714-62-3;Quercetin 7-O-rutinoside;2-(3,4-Dihydroxyphenyl)-3,5-dihydroxy-7-[(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;DTXSID701313150

Chemical Property of Quercetin-7-o-rutinoside

Chemical Property:

• PKA: 5.91±0.40(Predicted)
• XLogP3: -1.3
• Hydrogen Bond Donor Count: 10
• Hydrogen Bond Acceptor Count: 16
• Rotatable Bond Count: 6
• Exact Mass: 610.15338487
• Heavy Atom Count: 43
• Complexity: 1020

Purity/Quality:

70% ^*data from raw suppliers

Quercetin-7-O-rutinoside ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC1C(C(C(C(O1)OCC2C(C(C(C(O2)OC3=CC(=C4C(=C3)OC(=C(C4=O)O)C5=CC(=C(C=C5)O)O)O)O)O)O)O)O)O
• Isomeric 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=CC(=C4C(=C3)OC(=C(C4=O)O)C5=CC(=C(C=C5)O)O)O)O)O)O)O)O)O

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