Trehalose 2-sulfate
TL;DR: Trehalose 2-sulfate (CAS 97568-33-7) is a chemical compound with molecular formula C12H25NO14S and molecular weight 439.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
azane;[(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: Trehalose 2-sulfate, 2-O-Sulfotrehalose, ammonium salt, Trehalose 2-sulfate, ammonium salt, Ammonium alpha,alpha-trehalose 2-sulfate, 2-O-Sulfohexopyranosyl hexopyranoside--ammonia (1/1)
| Molecular Formula | C12H25NO14S |
|---|---|
| Molecular Weight | 439.10 g/mol |
| LogP | -5.4081 |
| Topological Polar Surface Area | 242.0 Ų |
| Hydrogen Bond Donors | 9 |
| Hydrogen Bond Acceptors | 15 |
| Rotatable Bonds | 6 |
| Exact Mass | 439.09958 |
| Heavy Atoms | 28 |
| Complexity | 579.0 |
Chemical Identifiers
| CAS Number | 97568-33-7 |
|---|---|
| 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.N |
| InChIKey | KCSITTGCEUPVOC-INJDEQCRSA-N |
Product Overview
Trehalose 2-sulfate (CAS 97568-33-7), with molecular formula C12H25NO14S and molecular weight 439.10 g/mol. IUPAC: azane;[(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 Trehalose 2-sulfate
Property Insights of Trehalose 2-sulfate
The XLogP value of -5.4081 indicates that Trehalose 2-sulfate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 242.0 Ų indicates high polarity, suggesting Trehalose 2-sulfate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Trehalose 2-sulfate has 9 hydrogen bond donor(s) and 15 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Trehalose 2-sulfate?
The CAS number of Trehalose 2-sulfate is 97568-33-7.
What is the molecular formula of Trehalose 2-sulfate?
The molecular formula of Trehalose 2-sulfate is C12H25NO14S.
What is the molecular weight of Trehalose 2-sulfate?
The molecular weight of Trehalose 2-sulfate is 439.10 g/mol.
Where can I buy Trehalose 2-sulfate?
You can request a quote for Trehalose 2-sulfate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Trehalose 2-sulfate?
Yes, KEHONG BIO provides custom synthesis services for Trehalose 2-sulfate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.