Thionigerose
TL;DR: Thionigerose (CAS 159495-64-4) is a chemical compound with molecular formula C12H22O10S and molecular weight 358.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S,3S,4S,5R,6R)-6-(hydroxymethyl)-4-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]sulfanyloxane-2,3,5-triol
Also Known As: Thionigerose, 3-S-Glucopyranosyl-3-thioglucose, 3-S-Hexopyranosyl-3-thiohexopyranose, 3-S-(alpha-D-Glucopyranosyl)-3-thio-D-glucose, 3-S-alpha-D-glucopyranosyl-3-thio-alpha-D-Glucopyranose
| Molecular Formula | C12H22O10S |
|---|---|
| Molecular Weight | 358.09 g/mol |
| LogP | -3.4 |
| Topological Polar Surface Area | 206.0 Ų |
| Hydrogen Bond Donors | 8 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 4 |
| Exact Mass | 358.09335 |
| Heavy Atoms | 23 |
| Complexity | 387.0 |
Chemical Identifiers
| CAS Number | 159495-64-4 |
|---|---|
| SMILES | C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O)O)S[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)O)O |
| InChIKey | XRTVCRDMGYFFNB-NMCXEIBESA-N |
Product Overview
Thionigerose (CAS 159495-64-4), with molecular formula C12H22O10S and molecular weight 358.09 g/mol. IUPAC: (2S,3S,4S,5R,6R)-6-(hydroxymethyl)-4-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]sulfanyloxane-2,3,5-triol.
Chemical Property Profile of Thionigerose
Property Insights of Thionigerose
The XLogP value of -3.4 indicates that Thionigerose is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 206.0 Ų indicates high polarity, suggesting Thionigerose may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Thionigerose has 8 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 Thionigerose?
The CAS number of Thionigerose is 159495-64-4.
What is the molecular formula of Thionigerose?
The molecular formula of Thionigerose is C12H22O10S.
What is the molecular weight of Thionigerose?
The molecular weight of Thionigerose is 358.09 g/mol.
Where can I buy Thionigerose?
You can request a quote for Thionigerose directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Thionigerose?
Yes, KEHONG BIO provides custom synthesis services for Thionigerose and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.