Gossypitrin

Base Information

• Chemical Name: Gossypitrin
• CAS No.: 489-34-9
• Deprecated CAS: 27215-31-2
• Molecular Formula: C21H20O13
• Molecular Weight: 480.382
• UNII: 5LXS0AQR7D
• DSSTox Substance ID: DTXSID90197630
• Nikkaji Number: J94.553F
• Wikidata: Q27262534
• Mol file: 489-34-9.mol

Synonyms:gossypitrin

Chemical Property of Gossypitrin

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Boiling Point: 910.9°Cat760mmHg
• Flash Point: 319.2°C
• PSA: 230.74000
• Density: 1.883g/cm³
• LogP: -0.83330
• XLogP3: 0
• Hydrogen Bond Donor Count: 9
• Hydrogen Bond Acceptor Count: 13
• Rotatable Bond Count: 4
• Exact Mass: 480.09039069
• Heavy Atom Count: 34
• Complexity: 789

Purity/Quality:

99%, ^*data from raw suppliers

Gossypetin-7-glucoside ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=C(C=C1C2=C(C(=O)C3=C(O2)C(=C(C=C3O)OC4C(C(C(C(O4)CO)O)O)O)O)O)O)O
• Isomeric SMILES: C1=CC(=C(C=C1C2=C(C(=O)C3=C(O2)C(=C(C=C3O)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O)O)O)O