Dothistromin

Base Information

• Chemical Name: Dothistromin
• CAS No.: 31456-72-1
• Molecular Formula: C₁₈H₁₂O₉
• Molecular Weight: 372.288
• UNII: 27USW980DL
• DSSTox Substance ID: DTXSID50953471
• Nikkaji Number: J18.760G
• Wikidata: Q27106442
• Mol file: 31456-72-1.mol

Synonyms:dothistromin

Chemical Property of Dothistromin

Chemical Property:

• Vapor Pressure: 3.08E-25mmHg at 25°C
• Boiling Point: 774.4°Cat760mmHg
• PKA: 5.57±0.60(Predicted)
• Flash Point: 289°C
• PSA: 153.75000
• Density: 1.974g/cm³
• LogP: 0.22360
• XLogP3: 1.2
• Hydrogen Bond Donor Count: 5
• Hydrogen Bond Acceptor Count: 9
• Rotatable Bond Count: 0
• Exact Mass: 372.04813196
• Heavy Atom Count: 27
• Complexity: 682

Purity/Quality:

99% ^*data from raw suppliers

DOTHISTROMIN 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1C(OC2C1(C3=C(O2)C=C4C(=C3O)C(=O)C5=C(C=CC(=C5C4=O)O)O)O)O
• Isomeric SMILES: C1[C@@H](O[C@H]2[C@@]1(C3=C(O2)C=C4C(=C3O)C(=O)C5=C(C=CC(=C5C4=O)O)O)O)O