CID 5487770

Base Information

• Chemical Name: CID 5487770
• CAS No.: 86546-87-4
• Molecular Formula: C24H23O14
• Molecular Weight: 518.42
• DSSTox Substance ID: DTXSID00235658
• Mol file: 86546-87-4.mol

Synonyms:DTXSID00235658

Chemical Property of CID 5487770

Chemical Property:

• PSA: 233.65000
• LogP: -1.49510
• XLogP3: 0.3
• Hydrogen Bond Donor Count: 7
• Hydrogen Bond Acceptor Count: 14
• Rotatable Bond Count: 8
• Exact Mass: 535.10878040
• Heavy Atom Count: 38
• Complexity: 1020

Purity/Quality:

≥98% ^*data from raw suppliers

Apigenin7-O-(6''-O-malonylglucoside) ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=C[CH]C1C2=C(C(=O)C3=C(C=C(C=C3O2)OC4C(C(C(C(O4)CO)O)O)O)O)OC(=O)CC(=O)O)O
• Isomeric SMILES: C1=CC(=C[CH]C1C2=C(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)OC(=O)CC(=O)O)O