TL;DR: beta-Cyclodextrin, 2A-O-(2-hydroxypropyl)-, (S)- (CAS 130981-23-6) is a chemical compound with molecular formula C45H76O36 and molecular weight 1192.4116 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(1S,3R,5R,6S,8R,10R,11S,13R,15R,16S,18R,20R,21S,23R,25R,26S,28R,30R,31S,33R,35R,36R,37R,38R,39R,40R,41R,42R,43R,44R,45R,46S,47R,48R,49R)-5,10,15,20,25,30,35-heptakis(hydroxymethyl)-47-[(2S)-2-hydroxypropoxy]-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-36,37,38,39,40,41,42,43,44,45,46,48,49-tridecol
Also Known As: 2-Hydroxypropyl-cmh, 2-O-(2-Hydroxypropyl)cyclomaltoheptaose, beta-Cyclodextrin, 2A-O-(2-hydroxypropyl)-, (S)-, I(2)-Cyclodextrin, 2A-O-(2-hydroxypropyl)-, (S)-, (-)-N-(tert-butyloxycarbonyl)-cis-2-aminocyclopentanecarboxylic acid
| Molecular Formula | C45H76O36 |
| Molecular Weight | 1192.4116 g/mol |
| XLogP | -14.7 |
| Topological Polar Surface Area (TPSA) | 563.0 Ų |
| Hydrogen Bond Donors | 21 |
| Hydrogen Bond Acceptors | 36 |
| Rotatable Bonds | 10 |
| Exact Mass | 1192.4116 Da |
| Heavy Atoms | 81 |
| Complexity | 1920.0 |
| SMILES | C[C@@H](CO[C@@H]1[C@H]([C@H]2[C@H](O[C@@H]1O[C@@H]3[C@H](O[C@@H]([C@@H]([C@H]3O)O)O[C@@H]4[C@H](O[C@@H]([C@@H]([C@H]4O)O)O[C@@H]5[C@H](O[C@@H]([C@@H]([C@H]5O)O)O[C@@H]6[C@H](O[C@@H]([C@@H]([C@H]6O)O)O[C@@H]7[C@H](O[C@@H]([C@@H]([C@H]7O)O)O[C@@H]8[C@H](O[C@H](O2)[C@@H]([C@H]8O)O)CO)CO)CO)CO)CO)CO)CO)O)O |
| InChIKey | AWDODIOBYTUSHB-JUFQYABCSA-N |
The XLogP value of -14.7 indicates that beta-Cyclodextrin, 2A-O-(2-hydroxypropyl)-, (S)- is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 563.0 Ų indicates high polarity, suggesting beta-Cyclodextrin, 2A-O-(2-hydroxypropyl)-, (S)- may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, beta-Cyclodextrin, 2A-O-(2-hydroxypropyl)-, (S)- has 21 hydrogen bond donor(s) and 36 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of beta-Cyclodextrin, 2A-O-(2-hydroxypropyl)-, (S)- is 130981-23-6.
The molecular formula of beta-Cyclodextrin, 2A-O-(2-hydroxypropyl)-, (S)- is C45H76O36.
The molecular weight of beta-Cyclodextrin, 2A-O-(2-hydroxypropyl)-, (S)- is 1192.4116 g/mol.
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