2,3-Didehydro-2-deoxydothistromin

Base Information

• Chemical Name: 2,3-Didehydro-2-deoxydothistromin
• CAS No.: 98063-09-3
• Molecular Formula: C18H10 O8
• Molecular Weight: 354.27
• UNII: 4840IU20XR
• DSSTox Substance ID: DTXSID80913482
• Wikidata: Q27259103

Synonyms:3',4'-dehydro-4'-deoxydothistromin;DDDTT

Chemical Property of 2,3-Didehydro-2-deoxydothistromin

Chemical Property:

• Vapor Pressure: 4.38E-22mmHg at 25°C
• Boiling Point: 725.4°Cat760mmHg
• Flash Point: 273.7°C
• PSA: 133.52000
• Density: 1.916g/cm³
• LogP: 1.02880
• XLogP3: 2.1
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 0
• Exact Mass: 354.03756727
• Heavy Atom Count: 26
• Complexity: 691

Purity/Quality:

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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=C2C(=C1O)C(=O)C3=CC4=C(C(=C3C2=O)O)C5(C=COC5O4)O)O
• Isomeric SMILES: C1=CC(=C2C(=C1O)C(=O)C3=CC4=C(C(=C3C2=O)O)[C@@]5(C=CO[C@@H]5O4)O)O

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