beta-Cyclodextrin tetradecasulfate

Base Information

• Chemical Name: beta-Cyclodextrin tetradecasulfate
• CAS No.: 121369-51-5
• Molecular Formula: C42H70O77S14
• Molecular Weight: 2255.869
• Mol file: 121369-51-5.mol

Synonyms:beta-cyclodextrin tetradecasulfate;beta-cyclodextrin tetradecasulfate, (2(A),2(B),2(C),2(D),2(E),2(F),2(G),6(A),6(B),6(C),6(D),6(E),6(F),7(G))-isomer;CTDS

Chemical Property of beta-Cyclodextrin tetradecasulfate

Chemical Property:

• Boiling Point: °Cat760mmHg
• Flash Point: °C
• Density: 2.39g/cm³
• XLogP3: -20.4
• Hydrogen Bond Donor Count: 21
• Hydrogen Bond Acceptor Count: 77
• Rotatable Bond Count: 35
• Exact Mass: 2253.7651743
• Heavy Atom Count: 133
• Complexity: 5650

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C(C1C2C(C(C(O1)OC3C(OC(C(C3OS(=O)(=O)O)OS(=O)(=O)O)OC4C(OC(C(C4OS(=O)(=O)O)OS(=O)(=O)O)OC5C(OC(C(C5OS(=O)(=O)O)OS(=O)(=O)O)OC6C(OC(C(C6OS(=O)(=O)O)OS(=O)(=O)O)OC7C(OC(C(C7OS(=O)(=O)O)OS(=O)(=O)O)OC8C(OC(O2)C(C8O)OS(=O)(=O)O)COS(=O)(=O)O)CO)CO)CO)CO)CO)OS(=O)(=O)O)OS(=O)(=O)O)O
• Isomeric SMILES: C([C@@H]1[C@@H]2[C@@H]([C@H]([C@H](O1)O[C@@H]3[C@H](O[C@@H]([C@@H]([C@H]3OS(=O)(=O)O)OS(=O)(=O)O)O[C@@H]4[C@H](O[C@@H]([C@@H]([C@H]4OS(=O)(=O)O)OS(=O)(=O)O)O[C@@H]5[C@H](O[C@@H]([C@@H]([C@H]5OS(=O)(=O)O)OS(=O)(=O)O)O[C@@H]6[C@H](O[C@@H]([C@@H]([C@H]6OS(=O)(=O)O)OS(=O)(=O)O)O[C@@H]7[C@H](O[C@@H]([C@@H]([C@H]7OS(=O)(=O)O)OS(=O)(=O)O)O[C@@H]8[C@H](O[C@H](O2)[C@@H]([C@H]8O)OS(=O)(=O)O)COS(=O)(=O)O)CO)CO)CO)CO)CO)OS(=O)(=O)O)OS(=O)(=O)O)O