alpha-D-Glucopyranuronic acid, methyl ester, 2,3,4-tris(2,2-dimethylpropanoate) 1-(2,2,2-trichloroethanimidate)

Base Information

• Chemical Name: alpha-D-Glucopyranuronic acid, methyl ester, 2,3,4-tris(2,2-dimethylpropanoate) 1-(2,2,2-trichloroethanimidate)
• CAS No.: 201789-50-6
• Molecular Formula: C₂₄H₃₆Cl₃NO₁₀
• Molecular Weight: 604.91
• DSSTox Substance ID: DTXSID401109548
• Nikkaji Number: J1.077.120J
• Mol file: 201789-50-6.mol

Synonyms:201789-50-6;alpha-D-Glucopyranuronic acid, methyl ester, 2,3,4-tris(2,2-dimethylpropanoate) 1-(2,2,2-trichloroethanimidate);DTXSID401109548

Chemical Property of alpha-D-Glucopyranuronic acid, methyl ester, 2,3,4-tris(2,2-dimethylpropanoate) 1-(2,2,2-trichloroethanimidate)

Chemical Property:

• XLogP3: 5.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 11
• Rotatable Bond Count: 13
• Exact Mass: 603.140479
• Heavy Atom Count: 38
• Complexity: 928

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC(C)(C)C(=O)OC1C(C(OC(C1OC(=O)C(C)(C)C)OC(=N)C(Cl)(Cl)Cl)C(=O)OC)OC(=O)C(C)(C)C
• Isomeric SMILES: CC(C)(C)C(=O)O[C@H]1[C@@H]([C@H](O[C@@H]([C@@H]1OC(=O)C(C)(C)C)OC(=N)C(Cl)(Cl)Cl)C(=O)OC)OC(=O)C(C)(C)C