Diinsininol

Base Information

• Chemical Name: Diinsininol
• CAS No.: 176739-79-0
• Molecular Formula: C36H32O16
• Molecular Weight: 720.6297
• Nikkaji Number: J862.450J
• Wikidata: Q27134281
• Metabolomics Workbench ID: 64153
• ChEMBL ID: CHEMBL507692
• Mol file: 176739-79-0.mol

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

Chemical Property of Diinsininol

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Boiling Point: 1026.3°Cat760mmHg
• Flash Point: 326.6°C
• PSA: 265.52000
• Density: 1.725g/cm³
• LogP: 1.96520
• XLogP3: 2.2
• Hydrogen Bond Donor Count: 10
• Hydrogen Bond Acceptor Count: 16
• Rotatable Bond Count: 5
• Exact Mass: 720.16903493
• Heavy Atom Count: 52
• Complexity: 1290

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)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)O