1-O-alpha-D-Glucopyranosyl-D-glucitol
TL;DR: 1-O-alpha-D-Glucopyranosyl-D-glucitol (CAS 20942-96-5) is a chemical compound with molecular formula C12H24O11 and molecular weight 344.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2R,3R,4R,5S)-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexane-1,2,3,4,5-pentol
Also Known As: Isomaltitol, 1-O-alpha-D-Glucopyranosyl-D-glucitol, 1-O-(alpha-D-Glucopyranosyl)-D-sorbitol, J1.117.042K, (2R,3R,4R,5S)-6-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}hexane-1,2,3,4,5-pentol
| Molecular Formula | C12H24O11 |
|---|---|
| Molecular Weight | 344.13 g/mol |
| LogP | -5.7612 |
| Topological Polar Surface Area | 200.53 Ų |
| Hydrogen Bond Donors | 9 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 8 |
| Exact Mass | 344.13187 |
| Heavy Atoms | 23 |
| Complexity | 340.96863 |
Chemical Identifiers
| CAS Number | 20942-96-5 |
|---|---|
| SMILES | C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)OC[C@@H]([C@H]([C@@H]([C@@H](CO)O)O)O)O)O)O)O)O |
Product Overview
1-O-alpha-D-Glucopyranosyl-D-glucitol (CAS 20942-96-5), with molecular formula C12H24O11 and molecular weight 344.13 g/mol. IUPAC: (2R,3R,4R,5S)-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexane-1,2,3,4,5-pentol.
Chemical Property Profile of 1-O-alpha-D-Glucopyranosyl-D-glucitol
Property Insights of 1-O-alpha-D-Glucopyranosyl-D-glucitol
The XLogP value of -5.7612 indicates that 1-O-alpha-D-Glucopyranosyl-D-glucitol is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 200.53 Ų indicates high polarity, suggesting 1-O-alpha-D-Glucopyranosyl-D-glucitol may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 1-O-alpha-D-Glucopyranosyl-D-glucitol has 9 hydrogen bond donor(s) and 11 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1-O-alpha-D-Glucopyranosyl-D-glucitol?
The CAS number of 1-O-alpha-D-Glucopyranosyl-D-glucitol is 20942-96-5.
What is the molecular formula of 1-O-alpha-D-Glucopyranosyl-D-glucitol?
The molecular formula of 1-O-alpha-D-Glucopyranosyl-D-glucitol is C12H24O11.
What is the molecular weight of 1-O-alpha-D-Glucopyranosyl-D-glucitol?
The molecular weight of 1-O-alpha-D-Glucopyranosyl-D-glucitol is 344.13 g/mol.
Where can I buy 1-O-alpha-D-Glucopyranosyl-D-glucitol?
You can request a quote for 1-O-alpha-D-Glucopyranosyl-D-glucitol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-O-alpha-D-Glucopyranosyl-D-glucitol?
Yes, KEHONG BIO provides custom synthesis services for 1-O-alpha-D-Glucopyranosyl-D-glucitol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.