Sorbitol hexanicotinate hydrochloride

Base Information

• Chemical Name: Sorbitol hexanicotinate hydrochloride
• CAS No.: 75178-19-7
• Molecular Formula: C42H32N6O12
• Molecular Weight: 812.7365

Synonyms:Sorbitol hexanicotinate hydrochloride;Glucitol, hexanicotinate, hydrochloride;Esa-nicotinato di sorbitolo cloridrato [Italian];SEN;C42H32N6O12.HCl;Esa-nicotinato di sorbitolo cloridrato;glucitol hexanicotinate, hydrochloride;LS-71390;75178-19-7

Chemical Property of Sorbitol hexanicotinate hydrochloride

Chemical Property:

• Boiling Point: 965.5°Cat760mmHg
• Flash Point: 537.7°C
• Density: 1.396g/cm³
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 18
• Rotatable Bond Count: 23
• Exact Mass: 848.1844982
• Heavy Atom Count: 61
• Complexity: 1340

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MSDS Files:

Useful:

• Canonical SMILES: C1=CC(=CN=C1)C(=O)OCC(C(C(C(COC(=O)C2=CN=CC=C2)OC(=O)C3=CN=CC=C3)OC(=O)C4=CN=CC=C4)OC(=O)C5=CN=CC=C5)OC(=O)C6=CN=CC=C6.Cl
• Isomeric SMILES: C1=CC(=CN=C1)C(=O)OC[C@H]([C@H]([C@@H]([C@H](COC(=O)C2=CN=CC=C2)OC(=O)C3=CN=CC=C3)OC(=O)C4=CN=CC=C4)OC(=O)C5=CN=CC=C5)OC(=O)C6=CN=CC=C6.Cl

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