1,4:3,6-dianhydro-D-glucitol 2-acetate
TL;DR: 1,4:3,6-dianhydro-D-glucitol 2-acetate (CAS 13042-39-2) is a chemical compound with molecular formula C8H12O5 and molecular weight 188.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl) acetate
Also Known As: 2-o-acetyl-1,4:3,6-dianhydrohexitol, 1,4:3,6-Dianhydro-D-glucitol 2-acetate, Hexahydrofuro[3,2-b]furan-3,6-diol 3-acetate, Hexahydrofuro[3,2-b]furan-3,6-diol 6-acetate, 6-hydroxy-hexahydrofuro[3,2-b]furan-3-yl acetate
| Molecular Formula | C8H12O5 |
|---|---|
| Molecular Weight | 188.07 g/mol |
| LogP | -0.8 |
| Topological Polar Surface Area | 65.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 188.06847 |
| Heavy Atoms | 13 |
| Complexity | 217.0 |
Chemical Identifiers
| CAS Number | 13042-39-2 |
|---|---|
| SMILES | CC(=O)OC1COC2C1OCC2O |
| InChIKey | ASUQMWUAFHPXOG-UHFFFAOYSA-N |
Product Overview
1,4:3,6-dianhydro-D-glucitol 2-acetate (CAS 13042-39-2), with molecular formula C8H12O5 and molecular weight 188.07 g/mol. IUPAC: (3-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl) acetate.
Chemical Property Profile of 1,4:3,6-dianhydro-D-glucitol 2-acetate
Property Insights of 1,4:3,6-dianhydro-D-glucitol 2-acetate
The XLogP value of -0.8 indicates that 1,4:3,6-dianhydro-D-glucitol 2-acetate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 65.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,4:3,6-dianhydro-D-glucitol 2-acetate. Following Lipinski's Rule of Five, 1,4:3,6-dianhydro-D-glucitol 2-acetate has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1,4:3,6-dianhydro-D-glucitol 2-acetate?
The CAS number of 1,4:3,6-dianhydro-D-glucitol 2-acetate is 13042-39-2.
What is the molecular formula of 1,4:3,6-dianhydro-D-glucitol 2-acetate?
The molecular formula of 1,4:3,6-dianhydro-D-glucitol 2-acetate is C8H12O5.
What is the molecular weight of 1,4:3,6-dianhydro-D-glucitol 2-acetate?
The molecular weight of 1,4:3,6-dianhydro-D-glucitol 2-acetate is 188.07 g/mol.
Where can I buy 1,4:3,6-dianhydro-D-glucitol 2-acetate?
You can request a quote for 1,4:3,6-dianhydro-D-glucitol 2-acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,4:3,6-dianhydro-D-glucitol 2-acetate?
Yes, KEHONG BIO provides custom synthesis services for 1,4:3,6-dianhydro-D-glucitol 2-acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.