Cellobial
TL;DR: Cellobial (CAS 5346-85-0) is a chemical compound with molecular formula C12H20O9 and molecular weight 308.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S,3R,4S,5S,6R)-2-[[(2R,3S,4R)-4-hydroxy-2-(hydroxymethyl)-3,4-dihydro-2H-pyran-3-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol
Also Known As: Cellobial, D-CELLOBIAL, (2S,3R,4S,5S,6R)-2-[[(2R,3S,4R)-4-hydroxy-2-(hydroxymethyl)-3,4-dihydro-2H-pyran-3-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol, 1,5-Anhydro-2-deoxy-4-(O-b-D-glucopyranosyl)-D-arabino-hex-1-enitol, 1,5-anhydro-2-deoxy-4-O-beta-D-glucopyranosyl-D-arabino-hex-1-enitol
| Molecular Formula | C12H20O9 |
|---|---|
| Molecular Weight | 308.11 g/mol |
| LogP | -3.5628 |
| Topological Polar Surface Area | 149.07 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 4 |
| Exact Mass | 308.11072 |
| Heavy Atoms | 21 |
| Complexity | 360.63727 |
Chemical Identifiers
| CAS Number | 5346-85-0 |
|---|---|
| SMILES | C1=CO[C@@H]([C@H]([C@@H]1O)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)CO |
Product Overview
Cellobial (CAS 5346-85-0), with molecular formula C12H20O9 and molecular weight 308.11 g/mol. IUPAC: (2S,3R,4S,5S,6R)-2-[[(2R,3S,4R)-4-hydroxy-2-(hydroxymethyl)-3,4-dihydro-2H-pyran-3-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol.
Chemical Property Profile of Cellobial
Property Insights of Cellobial
The XLogP value of -3.5628 indicates that Cellobial is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 149.07 Ų indicates high polarity, suggesting Cellobial may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Cellobial has 6 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Cellobial?
The CAS number of Cellobial is 5346-85-0.
What is the molecular formula of Cellobial?
The molecular formula of Cellobial is C12H20O9.
What is the molecular weight of Cellobial?
The molecular weight of Cellobial is 308.11 g/mol.
Where can I buy Cellobial?
You can request a quote for Cellobial directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Cellobial?
Yes, KEHONG BIO provides custom synthesis services for Cellobial and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.