Chl-betacd

Base Information

• Chemical Name: Chl-betacd
• CAS No.: 144363-91-7
• Molecular Formula: C54H86 N4 O36 . 29/4 H2 O
• Molecular Weight: 5991.50648
• Mol file: 144363-91-7.mol

Synonyms:6-deoxy-6-cyclo(histidyl-leucyl)cyclodextrin;6-deoxy-6-cyclo(L-His-L-Leu)-beta-cyclodextrin, hydrate (4:29);cHL-betaCD

Chemical Property of Chl-betacd

Chemical Property:

• Boiling Point: °Cat760mmHg
• Flash Point: °C
• Density: g/cm³
• Hydrogen Bond Donor Count: 117
• Hydrogen Bond Acceptor Count: 177
• Rotatable Bond Count: 48
• Exact Mass: 5990.3217857
• Heavy Atom Count: 405
• Complexity: 2440

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC(C)CC1C(=O)NC(C(=O)N1)CC2=CN(C=N2)CC3C4C(C(C(O3)OC5C(OC(C(C5O)O)OC6C(OC(C(C6O)O)OC7C(OC(C(C7O)O)OC8C(OC(C(C8O)O)OC9C(OC(C(C9O)O)OC1C(OC(O4)C(C1O)O)CO)CO)CO)CO)CO)CO)O)O.CC(C)CC1C(=O)NC(C(=O)N1)CC2=CN(C=N2)CC3C4C(C(C(O3)OC5C(OC(C(C5O)O)OC6C(OC(C(C6O)O)OC7C(OC(C(C7O)O)OC8C(OC(C(C8O)O)OC9C(OC(C(C9O)O)OC1C(OC(O4)C(C1O)O)CO)CO)CO)CO)CO)CO)O)O.CC(C)CC1C(=O)NC(C(=O)N1)CC2=CN(C=N2)CC3C4C(C(C(O3)OC5C(OC(C(C5O)O)OC6C(OC(C(C6O)O)OC7C(OC(C(C7O)O)OC8C(OC(C(C8O)O)OC9C(OC(C(C9O)O)OC1C(OC(O4)C(C1O)O)CO)CO)CO)CO)CO)CO)O)O.CC(C)CC1C(=O)NC(C(=O)N1)CC2=CN(C=N2)CC3C4C(C(C(O3)OC5C(OC(C(C5O)O)OC6C(OC(C(C6O)O)OC7C(OC(C(C7O)O)OC8C(OC(C(C8O)O)OC9C(OC(C(C9O)O)OC1C(OC(O4)C(C1O)O)CO)CO)CO)CO)CO)CO)O)O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O