Diinsinin

Base Information

• Chemical Name: Diinsinin
• CAS No.: 176739-80-3
• Molecular Formula: C36H32O15
• Molecular Weight: 704.6303
• Nikkaji Number: J862.451H
• Wikidata: Q27134282
• Metabolomics Workbench ID: 64154
• ChEMBL ID: CHEMBL447954

Synonyms:5,7,3',4'-tetrahydroxyflavanyl--7-O-beta-glucosyl-(4beta-8-2beta-O-7)naringenin;diinsinin

Chemical Property of Diinsinin

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Boiling Point: 997.1°C at 760 mmHg
• Flash Point: 318.1°C
• PSA: 245.29000
• Density: 1.681g/cm³
• LogP: 2.25960
• XLogP3: 2.5
• Hydrogen Bond Donor Count: 9
• Hydrogen Bond Acceptor Count: 15
• Rotatable Bond Count: 5
• Exact Mass: 704.17412031
• Heavy Atom Count: 51
• Complexity: 1250

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1C(OC2=C(C1=O)C(=CC3=C2C4CC(O3)(OC5=CC(=CC(=C45)O)OC6C(C(C(C(O6)CO)O)O)O)C7=CC(=C(C=C7)O)O)O)C8=CC=C(C=C8)O
• Isomeric SMILES: C1[C@@H](OC2=C(C1=O)C(=CC3=C2[C@@H]4C[C@](O3)(OC5=CC(=CC(=C45)O)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)CO)O)O)O)C7=CC(=C(C=C7)O)O)O)C8=CC=C(C=C8)O

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