Cyclomaltoheptaose-1-adamantanemethanol
TL;DR: Cyclomaltoheptaose-1-adamantanemethanol (CAS 101412-93-5) is a chemical compound with molecular formula C53H94O39 and molecular weight 1354.54 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
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)
| Molecular Formula | C53H94O39 |
|---|---|
| Molecular Weight | 1354.54 g/mol |
| LogP | -15.51 |
| Topological Polar Surface Area | 577.0 Ų |
| Hydrogen Bond Donors | 25 |
| Hydrogen Bond Acceptors | 39 |
| Rotatable Bonds | 8 |
| Exact Mass | 1354.5372 |
| Heavy Atoms | 92 |
| Complexity | 1640.0 |
Chemical Identifiers
| CAS Number | 101412-93-5 |
|---|---|
| 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 |
Product Overview
Cyclomaltoheptaose-1-adamantanemethanol (CAS 101412-93-5), with molecular formula C53H94O39 and molecular weight 1354.54 g/mol. IUPAC: 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.
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
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 1354.54 g/mol.
Where can I buy Cyclomaltoheptaose-1-adamantanemethanol?
You can request a quote for Cyclomaltoheptaose-1-adamantanemethanol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Cyclomaltoheptaose-1-adamantanemethanol?
Yes, KEHONG BIO provides custom synthesis services for Cyclomaltoheptaose-1-adamantanemethanol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.