1,2,3,4,5,6-Hexa-O-acetylhexitol
TL;DR: 1,2,3,4,5,6-Hexa-O-acetylhexitol (CAS 7208-47-1) is a chemical compound with molecular formula C18H26O12 and molecular weight 434.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,3,4,5,6-pentaacetyloxyhexyl acetate
Also Known As: SORBITOL HEXAACETATE, D-Glucitol, hexaacetate, L-Iditol hexaacetate, Mannitol, hexaacetate, Hexa-O-acetylglucitol
| Molecular Formula | C18H26O12 |
|---|---|
| Molecular Weight | 434.14 g/mol |
| LogP | -0.2 |
| Topological Polar Surface Area | 158.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 17 |
| Exact Mass | 434.14243 |
| Heavy Atoms | 30 |
| Complexity | 600.0 |
Chemical Identifiers
| CAS Number | 7208-47-1 |
|---|---|
| SMILES | CC(=O)OCC(C(C(C(COC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C |
| InChIKey | NJVBTKVPPOFGAT-UHFFFAOYSA-N |
Product Overview
1,2,3,4,5,6-Hexa-O-acetylhexitol (CAS 7208-47-1), with molecular formula C18H26O12 and molecular weight 434.14 g/mol. IUPAC: 2,3,4,5,6-pentaacetyloxyhexyl acetate.
Chemical Property Profile of 1,2,3,4,5,6-Hexa-O-acetylhexitol
Property Insights of 1,2,3,4,5,6-Hexa-O-acetylhexitol
The XLogP value of -0.2 indicates that 1,2,3,4,5,6-Hexa-O-acetylhexitol is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 158.0 Ų indicates high polarity, suggesting 1,2,3,4,5,6-Hexa-O-acetylhexitol may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 1,2,3,4,5,6-Hexa-O-acetylhexitol has 0 hydrogen bond donor(s) and 12 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1,2,3,4,5,6-Hexa-O-acetylhexitol?
The CAS number of 1,2,3,4,5,6-Hexa-O-acetylhexitol is 7208-47-1.
What is the molecular formula of 1,2,3,4,5,6-Hexa-O-acetylhexitol?
The molecular formula of 1,2,3,4,5,6-Hexa-O-acetylhexitol is C18H26O12.
What is the molecular weight of 1,2,3,4,5,6-Hexa-O-acetylhexitol?
The molecular weight of 1,2,3,4,5,6-Hexa-O-acetylhexitol is 434.14 g/mol.
Where can I buy 1,2,3,4,5,6-Hexa-O-acetylhexitol?
You can request a quote for 1,2,3,4,5,6-Hexa-O-acetylhexitol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,2,3,4,5,6-Hexa-O-acetylhexitol?
Yes, KEHONG BIO provides custom synthesis services for 1,2,3,4,5,6-Hexa-O-acetylhexitol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.