Daibs

Base Information

• Chemical Name: Daibs
• CAS No.: 95605-21-3
• Molecular Formula: C19H24 I N2 O12
• Molecular Weight: 0
• DSSTox Substance ID: DTXSID60914912
• Wikidata: Q82885762
• Mol file: 95605-21-3.mol

Synonyms:DAIBS;O-(4-diazo-3-iodobenzoyl)sucrose

Chemical Property of Daibs

Chemical Property:

• Boiling Point: °Cat760mmHg
• Flash Point: °C
• Density: g/cm³
• XLogP3: -0.7
• Hydrogen Bond Donor Count: 7
• Hydrogen Bond Acceptor Count: 13
• Rotatable Bond Count: 8
• Exact Mass: 599.03740
• Heavy Atom Count: 34
• Complexity: 769

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C1=CC(=C(C=C1C(=O)OCC2(C(C(C(O2)CO)O)O)OC3C(C(C(C(O3)CO)O)O)O)I)[N+]#N
• Isomeric SMILES: C1=CC(=C(C=C1C(=O)OC[C@@]2([C@H]([C@@H]([C@H](O2)CO)O)O)O[C@H]3[C@H]([C@@H]([C@H]([C@@H](O3)CO)O)O)O)I)[N+]#N