Hexa(beta-glucopyranosyl)glucitol
TL;DR: Hexa(beta-glucopyranosyl)glucitol (CAS 99217-70-6) is a chemical compound with molecular formula C42H74O36 and molecular weight 1154.40 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S,3R,4R,5R)-6-[(2R,3R,4S,5R,6R)-6-[[(2R,3R,4S,5S,6R)-6-[[(2R,3R,4S,5R,6R)-3,5-dihydroxy-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-[[(3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxymethyl]-3,5-dihydroxy-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxyhexane-1,2,3,4,5-pentol
Also Known As: HBGG, Hexa(beta-glucopyranosyl)glucitol, Hexa(beta-D-glucopyranosyl)-D-glucitol, (2S,3R,4R,5R)-6-[(2R,3R,4S,5R,6R)-6-[[(2R,3R,4S,5S,6R)-6-[[(2R,3R,4S,5R,6R)-3,5-dihydroxy-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-[[(3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxymethyl]-3,5-dihydroxy-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxyhexane-1,2,3,4,5-pentol, A-d-glucopyranosyl-(1->3)-[
| Molecular Formula | C42H74O36 |
|---|---|
| Molecular Weight | 1154.40 g/mol |
| LogP | -14.8 |
| Topological Polar Surface Area | 596.0 Ų |
| Hydrogen Bond Donors | 24 |
| Hydrogen Bond Acceptors | 36 |
| Rotatable Bonds | 23 |
| Exact Mass | 1154.396 |
| Heavy Atoms | 78 |
| Complexity | 1770.0 |
Chemical Identifiers
| CAS Number | 99217-70-6 |
|---|---|
| SMILES | C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O[C@H]2[C@@H]([C@H](O[C@H]([C@@H]2O)OC[C@H]([C@H]([C@@H]([C@H](CO)O)O)O)O)CO[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)COC5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O)O)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)CO)O)O)O)O)O)O)O)O)O)O)O)O |
| InChIKey | LVPXEPHIUXQCHU-LONWAJEVSA-N |
Product Overview
Hexa(beta-glucopyranosyl)glucitol (CAS 99217-70-6), with molecular formula C42H74O36 and molecular weight 1154.40 g/mol. IUPAC: (2S,3R,4R,5R)-6-[(2R,3R,4S,5R,6R)-6-[[(2R,3R,4S,5S,6R)-6-[[(2R,3R,4S,5R,6R)-3,5-dihydroxy-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-[[(3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxymethyl]-3,5-dihydroxy-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxyhexane-1,2,3,4,5-pentol.
Chemical Property Profile of Hexa(beta-glucopyranosyl)glucitol
Property Insights of Hexa(beta-glucopyranosyl)glucitol
The XLogP value of -14.8 indicates that Hexa(beta-glucopyranosyl)glucitol is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 596.0 Ų indicates high polarity, suggesting Hexa(beta-glucopyranosyl)glucitol may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Hexa(beta-glucopyranosyl)glucitol has 24 hydrogen bond donor(s) and 36 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Hexa(beta-glucopyranosyl)glucitol?
The CAS number of Hexa(beta-glucopyranosyl)glucitol is 99217-70-6.
What is the molecular formula of Hexa(beta-glucopyranosyl)glucitol?
The molecular formula of Hexa(beta-glucopyranosyl)glucitol is C42H74O36.
What is the molecular weight of Hexa(beta-glucopyranosyl)glucitol?
The molecular weight of Hexa(beta-glucopyranosyl)glucitol is 1154.40 g/mol.
Where can I buy Hexa(beta-glucopyranosyl)glucitol?
You can request a quote for Hexa(beta-glucopyranosyl)glucitol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Hexa(beta-glucopyranosyl)glucitol?
Yes, KEHONG BIO provides custom synthesis services for Hexa(beta-glucopyranosyl)glucitol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.