Didymin

Base Information

• Chemical Name: Didymin
• CAS No.: 14259-47-3
• Molecular Formula: C28H34O14
• Molecular Weight: 594.56
• Hs Code.: 29389090
• European Community (EC) Number: 238-139-6
• UNII: 02Q5OS3TU3
• DSSTox Substance ID: DTXSID90931536
• Metabolomics Workbench ID: 27496
• Nikkaji Number: J14.873C
• Wikidata: Q63399321
• Mol file: 14259-47-3.mol

Synonyms:didymin

Chemical Property of Didymin

Chemical Property:

• Appearance/Colour: faintly beige powder
• Vapor Pressure: 1.47E-34mmHg at 25°C
• Melting Point: 211-213°C
• Refractive Index: 1.677
• Boiling Point: 896.6 °C at 760 mmHg
• PKA: 7.17±0.40(Predicted)
• Flash Point: 295.3 °C
• PSA: 214.06000
• Density: 1.59 g/cm³
• LogP: -0.86220
• Storage Temp.: Inert atmosphere,Room Temperature
• Solubility.: DMSO (Sparingly), Methanol (Slightly, Heated, Sonicated)
• XLogP3: -0.7
• Hydrogen Bond Donor Count: 7
• Hydrogen Bond Acceptor Count: 14
• Rotatable Bond Count: 7
• Exact Mass: 594.19485575
• Heavy Atom Count: 42
• Complexity: 900

Purity/Quality:

≥98% ^*data from raw suppliers

DIDYMIN 95.00% ^*data from reagent suppliers

Safty Information:

• Safety Statements: 22-24/25

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1C(C(C(C(O1)OCC2C(C(C(C(O2)OC3=CC(=C4C(=O)CC(OC4=C3)C5=CC=C(C=C5)OC)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(=O)C[C@H](OC4=C3)C5=CC=C(C=C5)OC)O)O)O)O)O)O)O
• Uses: Neoponcirin is a flavonoid that was shown to exhibit anticancer properties by inducing apoptosis by inhibiting N-Myc and upregulating RKIP in neuroblastoma.