2-Sulfotrehalose
TL;DR: 2-Sulfotrehalose (CAS 141923-45-7) is a chemical compound with molecular formula C12H22O14S and molecular weight 422.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(2R,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-3-yl] hydrogen sulfate
Also Known As: 2-Sulfotrehalose, Trehalose 2-sulfate, 2-O-Sulfotrehalose, alpha,alpha-trehalose-2-sulfate, GlyTouCan:G61373DS
| Molecular Formula | C12H22O14S |
|---|---|
| Molecular Weight | 422.07 g/mol |
| LogP | -5.5701 |
| Topological Polar Surface Area | 232.9 Ų |
| Hydrogen Bond Donors | 8 |
| Hydrogen Bond Acceptors | 13 |
| Rotatable Bonds | 6 |
| Exact Mass | 422.07303 |
| Heavy Atoms | 27 |
| Complexity | 582.64685 |
Chemical Identifiers
| CAS Number | 141923-45-7 |
|---|---|
| SMILES | C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)OS(=O)(=O)O)O)O)O)O |
Product Overview
2-Sulfotrehalose (CAS 141923-45-7), with molecular formula C12H22O14S and molecular weight 422.07 g/mol. IUPAC: [(2R,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-3-yl] hydrogen sulfate.
Chemical Property Profile of 2-Sulfotrehalose
Property Insights of 2-Sulfotrehalose
The XLogP value of -5.5701 indicates that 2-Sulfotrehalose is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 232.9 Ų indicates high polarity, suggesting 2-Sulfotrehalose may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 2-Sulfotrehalose has 8 hydrogen bond donor(s) and 13 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2-Sulfotrehalose?
The CAS number of 2-Sulfotrehalose is 141923-45-7.
What is the molecular formula of 2-Sulfotrehalose?
The molecular formula of 2-Sulfotrehalose is C12H22O14S.
What is the molecular weight of 2-Sulfotrehalose?
The molecular weight of 2-Sulfotrehalose is 422.07 g/mol.
Where can I buy 2-Sulfotrehalose?
You can request a quote for 2-Sulfotrehalose directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Sulfotrehalose?
Yes, KEHONG BIO provides custom synthesis services for 2-Sulfotrehalose and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.