L-glycero-alpha-D-manno-Heptopyranose, 2,3,4,6,7-pentaacetate 1-(2,2,2-trichloroethanimidate)

Base Information

• Chemical Name: L-glycero-alpha-D-manno-Heptopyranose, 2,3,4,6,7-pentaacetate 1-(2,2,2-trichloroethanimidate)
• CAS No.: 135296-88-7
• Molecular Formula: C₁₉H₂₄Cl₃NO₁₂
• Molecular Weight: 564.758
• DSSTox Substance ID: DTXSID901122901
• Nikkaji Number: J3.005.749J
• Mol file: 135296-88-7.mol

Synonyms:DTXSID901122901;135296-88-7;L-glycero-alpha-D-manno-Heptopyranose, 2,3,4,6,7-pentaacetate 1-(2,2,2-trichloroethanimidate)

Chemical Property of L-glycero-alpha-D-manno-Heptopyranose, 2,3,4,6,7-pentaacetate 1-(2,2,2-trichloroethanimidate)

Chemical Property:

• XLogP3: 1.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 13
• Rotatable Bond Count: 14
• Exact Mass: 563.036408
• Heavy Atom Count: 35
• Complexity: 845

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC(=O)OCC(C1C(C(C(C(O1)OC(=N)C(Cl)(Cl)Cl)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C
• Isomeric SMILES: CC(=O)OC[C@@H]([C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)OC(=N)C(Cl)(Cl)Cl)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C