Cyanidin 3-O-rutinoside

Base Information

• Chemical Name: Cyanidin 3-O-rutinoside
• CAS No.: 28338-59-2
• Deprecated CAS: 259813-55-3
• Molecular Formula: C₂₇H₃₁O₁₅
• Molecular Weight: 595.534
• UNII: OR49FC491X
• DSSTox Substance ID: DTXSID401313656
• Nikkaji Number: J221.256K
• Wikidata: Q27103483
• Metabolomics Workbench ID: 200659
• ChEMBL ID: CHEMBL505251

Synonyms:cyanidin 3-rutinoside;cyanidin-3-rutinoside

Chemical Property of Cyanidin 3-O-rutinoside

Chemical Property:

• Hydrogen Bond Donor Count: 10
• Hydrogen Bond Acceptor Count: 14
• Rotatable Bond Count: 6
• Exact Mass: 595.16629528
• Heavy Atom Count: 42
• Complexity: 883

Purity/Quality:

HPLC≥98% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC1C(C(C(C(O1)OCC2C(C(C(C(O2)OC3=CC4=C(C=C(C=C4[O+]=C3C5=CC(=C(C=C5)O)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=CC4=C(C=C(C=C4[O+]=C3C5=CC(=C(C=C5)O)O)O)O)O)O)O)O)O)O

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