Cyclomaltoheptaose-1-adamantanemethanol
TL;DR: Cyclomaltoheptaose-1-adamantanemethanol (CAS 101412-93-5) is a chemical compound with molecular formula C53H94O39 and molecular weight 1354.5372 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-adamantylmethanol;(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;trihydrate
Also Known As: Cmh-AM, Cyclomaltoheptaose-1-adamantanemethanol, 4-(2-Hydroxy-naphthalen-1-ylazo)-1,5-dimethyl-2-phenyl-1,2-dihydro-pyrazol-3-one, beta-Cyclodextrin, compd. with tricyclo(3.3.1.13,7)decane-1-methanol (1:1), trihydrate, (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- tricyclo[3.3.1.13,7]dec-1-ylmethanol hydrate(1:1:3)(non-preferred name)
Technical Specifications
| Molecular Formula | C53H94O39 |
| Molecular Weight | 1354.5372 g/mol |
| XLogP | -15.51 |
| Topological Polar Surface Area (TPSA) | 577.0 Ų |
| Hydrogen Bond Donors | 25 |
| Hydrogen Bond Acceptors | 39 |
| Rotatable Bonds | 8 |
| Exact Mass | 1354.5372 Da |
| Heavy Atoms | 92 |
| Complexity | 1640.0 |
| SMILES | C1C2CC3CC1CC(C2)(C3)CO.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.O.O.O |
| InChIKey | NXYKOJRRZLCQBW-DCNYAWAYSA-N |
Chemical Property Profile of Cyclomaltoheptaose-1-adamantanemethanol
Property Insights of Cyclomaltoheptaose-1-adamantanemethanol
The XLogP value of -15.51 indicates that Cyclomaltoheptaose-1-adamantanemethanol is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 577.0 Ų indicates high polarity, suggesting Cyclomaltoheptaose-1-adamantanemethanol may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Cyclomaltoheptaose-1-adamantanemethanol has 25 hydrogen bond donor(s) and 39 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of Cyclomaltoheptaose-1-adamantanemethanol?
The CAS number of Cyclomaltoheptaose-1-adamantanemethanol is 101412-93-5.
What is the molecular formula of Cyclomaltoheptaose-1-adamantanemethanol?
The molecular formula of Cyclomaltoheptaose-1-adamantanemethanol is C53H94O39.
What is the molecular weight of Cyclomaltoheptaose-1-adamantanemethanol?
The molecular weight of Cyclomaltoheptaose-1-adamantanemethanol is 1354.5372 g/mol.
Where can I buy Cyclomaltoheptaose-1-adamantanemethanol?
You can request a quote for Cyclomaltoheptaose-1-adamantanemethanol directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Cyclomaltoheptaose-1-adamantanemethanol?
Yes, CoreyChem provides custom synthesis services for Cyclomaltoheptaose-1-adamantanemethanol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.