TL;DR: Kleptose (CAS 79647-56-6) is a chemical compound with molecular formula C42H70O35 and molecular weight 1134.3698 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(1S,3R,6S,8R,11S,13R,16S,18R,21S,23R,26S,28R,31S,33R)-5,10,15,20,25,30,35-heptakis(hydroxymethyl)-2,4,7,9,12,14,17,19,22,24,27,29,32,34-tetradecaoxaoctacyclo[31.2.2.23,6.28,11.213,16.218,21.223,26.228,31]nonatetracontane-36,37,38,39,40,41,42,43,44,45,46,47,48,49-tetradecol
Also Known As: Kleptose, beta-Cyclodextrin, homopolymer
| Molecular Formula | C42H70O35 |
| Molecular Weight | 1134.3698 g/mol |
| XLogP | -15.0 |
| Topological Polar Surface Area (TPSA) | 554.0 Ų |
| Hydrogen Bond Donors | 21 |
| Hydrogen Bond Acceptors | 35 |
| Rotatable Bonds | 7 |
| Exact Mass | 1134.3698 Da |
| Heavy Atoms | 77 |
| Complexity | 1480.0 |
| SMILES | C(C1[C@@H]2C(C([C@H](O1)O[C@@H]3C(O[C@@H](C(C3O)O)O[C@@H]4C(O[C@@H](C(C4O)O)O[C@@H]5C(O[C@@H](C(C5O)O)O[C@@H]6C(O[C@@H](C(C6O)O)O[C@@H]7C(O[C@@H](C(C7O)O)O[C@@H]8C(O[C@H](O2)C(C8O)O)CO)CO)CO)CO)CO)CO)O)O)O |
| InChIKey | WHGYBXFWUBPSRW-IWMWYTGBSA-N |
The XLogP value of -15.0 indicates that Kleptose is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 554.0 Ų indicates high polarity, suggesting Kleptose may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Kleptose has 21 hydrogen bond donor(s) and 35 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of Kleptose is 79647-56-6.
The molecular formula of Kleptose is C42H70O35.
The molecular weight of Kleptose is 1134.3698 g/mol.
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