Thiocellobiose
TL;DR: Thiocellobiose (CAS 80951-92-4) 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.
(2R,3R,4R,5R)-2,3,5,6-tetrahydroxy-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]sulfanylhexanal
Also Known As: Thiocellobiose, ?THIOCELLOBIOSE, 4-S-Hexopyranosyl-4-thiohexose, D-Glucose, 4-S-beta-D-glucopyranosyl-4-thio-, Thiocellobiose, >=98.0% (TLC)
| Molecular Formula | C12H22O10S |
|---|---|
| Molecular Weight | 358.09 g/mol |
| LogP | -4.2 |
| Topological Polar Surface Area | 213.0 Ų |
| Hydrogen Bond Donors | 8 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 8 |
| Exact Mass | 358.09335 |
| Heavy Atoms | 23 |
| Complexity | 372.0 |
Chemical Identifiers
| CAS Number | 80951-92-4 |
|---|---|
| SMILES | C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)S[C@H]([C@@H](CO)O)[C@@H]([C@H](C=O)O)O)O)O)O)O |
| InChIKey | VMEDEPBFFWJMMG-WELRSGGNSA-N |
Product Overview
Thiocellobiose (CAS 80951-92-4), with molecular formula C12H22O10S and molecular weight 358.09 g/mol. IUPAC: (2R,3R,4R,5R)-2,3,5,6-tetrahydroxy-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]sulfanylhexanal.
Chemical Property Profile of Thiocellobiose
Property Insights of Thiocellobiose
The XLogP value of -4.2 indicates that Thiocellobiose is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 213.0 Ų indicates high polarity, suggesting Thiocellobiose may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Thiocellobiose 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 Thiocellobiose?
The CAS number of Thiocellobiose is 80951-92-4.
What is the molecular formula of Thiocellobiose?
The molecular formula of Thiocellobiose is C12H22O10S.
What is the molecular weight of Thiocellobiose?
The molecular weight of Thiocellobiose is 358.09 g/mol.
Where can I buy Thiocellobiose?
You can request a quote for Thiocellobiose directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Thiocellobiose?
Yes, KEHONG BIO provides custom synthesis services for Thiocellobiose and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.