Allitol
TL;DR: Allitol (CAS 488-44-8) is a chemical compound with molecular formula C6H14O6 and molecular weight 182.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2R,3R,4S,5S)-hexane-1,2,3,4,5,6-hexol
Also Known As: Allitol, d-allitol, Allodulcitol, Allodulcit, Hexitol
| Molecular Formula | C6H14O6 |
|---|---|
| Molecular Weight | 182.08 g/mol |
| LogP | -3.1 |
| Topological Polar Surface Area | 121.0 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 182.07904 |
| Heavy Atoms | 12 |
| Complexity | 105.0 |
Chemical Identifiers
| CAS Number | 488-44-8 |
|---|---|
| SMILES | C([C@H]([C@H]([C@H]([C@H](CO)O)O)O)O)O |
| InChIKey | FBPFZTCFMRRESA-FBXFSONDSA-N |
Product Overview
Allitol (CAS 488-44-8), with molecular formula C6H14O6 and molecular weight 182.08 g/mol. IUPAC: (2R,3R,4S,5S)-hexane-1,2,3,4,5,6-hexol.
Chemical Property Profile of Allitol
Property Insights of Allitol
The XLogP value of -3.1 indicates that Allitol is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 121.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Allitol. Following Lipinski's Rule of Five, Allitol has 6 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Allitol?
The CAS number of Allitol is 488-44-8.
What is the molecular formula of Allitol?
The molecular formula of Allitol is C6H14O6.
What is the molecular weight of Allitol?
The molecular weight of Allitol is 182.08 g/mol.
Where can I buy Allitol?
You can request a quote for Allitol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Allitol?
Yes, KEHONG BIO provides custom synthesis services for Allitol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.