6-O-alpha-D-Glucosyl-beta-cyclodextrin
TL;DR: 6-O-alpha-D-Glucosyl-beta-cyclodextrin (CAS 92517-02-7) is a chemical compound with molecular formula C48H80O40 and molecular weight 1296.42 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(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,46R,47R,48R,49R)-5,10,15,20,30,35-hexakis(hydroxymethyl)-25-[[(3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-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: Glucose-beta cyclodextrins, 6-O-alpha-D-Glucosyl-beta-cyclodextrin, Beta-cyclodextrin, O-alpha-d-glucopyranosyl-(1-6a)-, (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,46R,47R,48R,49R)-5,10,15,20,30,35-Hexakis(hydroxymethyl)-25-[[(3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-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
| Molecular Formula | C48H80O40 |
|---|---|
| Molecular Weight | 1296.42 g/mol |
| LogP | -16.6 |
| Topological Polar Surface Area | 633.0 Ų |
| Hydrogen Bond Donors | 24 |
| Hydrogen Bond Acceptors | 40 |
| Rotatable Bonds | 10 |
| Exact Mass | 1296.4226 |
| Heavy Atoms | 88 |
| Complexity | 2150.0 |
Chemical Identifiers
| CAS Number | 92517-02-7 |
|---|---|
| SMILES | C([C@@H]1[C@H]([C@@H]([C@H](C(O1)OC[C@@H]2[C@@H]3[C@@H]([C@H]([C@H](O2)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]([C@@H]([C@H]8O)O)O[C@@H]9[C@H](O[C@H](O3)[C@@H]([C@H]9O)O)CO)CO)CO)CO)CO)CO)O)O)O)O)O)O |
| InChIKey | XXFANTYPKDIONG-DGMDHIGGSA-N |
Product Overview
6-O-alpha-D-Glucosyl-beta-cyclodextrin (CAS 92517-02-7), with molecular formula C48H80O40 and molecular weight 1296.42 g/mol. IUPAC: (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,46R,47R,48R,49R)-5,10,15,20,30,35-hexakis(hydroxymethyl)-25-[[(3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-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.
Chemical Property Profile of 6-O-alpha-D-Glucosyl-beta-cyclodextrin
Property Insights of 6-O-alpha-D-Glucosyl-beta-cyclodextrin
The XLogP value of -16.6 indicates that 6-O-alpha-D-Glucosyl-beta-cyclodextrin is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 633.0 Ų indicates high polarity, suggesting 6-O-alpha-D-Glucosyl-beta-cyclodextrin may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 6-O-alpha-D-Glucosyl-beta-cyclodextrin has 24 hydrogen bond donor(s) and 40 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 6-O-alpha-D-Glucosyl-beta-cyclodextrin?
The CAS number of 6-O-alpha-D-Glucosyl-beta-cyclodextrin is 92517-02-7.
What is the molecular formula of 6-O-alpha-D-Glucosyl-beta-cyclodextrin?
The molecular formula of 6-O-alpha-D-Glucosyl-beta-cyclodextrin is C48H80O40.
What is the molecular weight of 6-O-alpha-D-Glucosyl-beta-cyclodextrin?
The molecular weight of 6-O-alpha-D-Glucosyl-beta-cyclodextrin is 1296.42 g/mol.
Where can I buy 6-O-alpha-D-Glucosyl-beta-cyclodextrin?
You can request a quote for 6-O-alpha-D-Glucosyl-beta-cyclodextrin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6-O-alpha-D-Glucosyl-beta-cyclodextrin?
Yes, KEHONG BIO provides custom synthesis services for 6-O-alpha-D-Glucosyl-beta-cyclodextrin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.