4-O-Acetyl-2,5-anhydro-1,3-isopropylidene-D-glucitol
TL;DR: 4-O-Acetyl-2,5-anhydro-1,3-isopropylidene-D-glucitol (CAS 70128-28-8) is a chemical compound with molecular formula C11H18O6 and molecular weight 246.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[6-(hydroxymethyl)-2,2-dimethyl-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3]dioxin-7-yl] acetate
Also Known As: 4-O-Acetyl-2,5-anhydro-1,3-O-isopropylidene-D-glucitol, 4-O-ACETYL-2,5-ANHYDRO-1,3-ISOPROPYLIDENE-D-GLUCITOL, [8-(hydroxymethyl)-3,3-dimethyl-2,4,7-trioxabicyclo[4.3.0]non-9-yl] Acetate, [6-(hydroxymethyl)-2,2-dimethyl-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3]dioxin-7-yl] acetate
| Molecular Formula | C11H18O6 |
|---|---|
| Molecular Weight | 246.11 g/mol |
| LogP | -0.1707 |
| Topological Polar Surface Area | 74.22 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 246.11034 |
| Heavy Atoms | 17 |
| Complexity | 302.3368 |
Chemical Identifiers
| CAS Number | 70128-28-8 |
|---|---|
| SMILES | CC(=O)OC1C(OC2C1OC(OC2)(C)C)CO |
Product Overview
4-O-Acetyl-2,5-anhydro-1,3-isopropylidene-D-glucitol (CAS 70128-28-8), with molecular formula C11H18O6 and molecular weight 246.11 g/mol. IUPAC: [6-(hydroxymethyl)-2,2-dimethyl-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3]dioxin-7-yl] acetate.
Chemical Property Profile of 4-O-Acetyl-2,5-anhydro-1,3-isopropylidene-D-glucitol
Property Insights of 4-O-Acetyl-2,5-anhydro-1,3-isopropylidene-D-glucitol
The XLogP value of -0.1707 indicates that 4-O-Acetyl-2,5-anhydro-1,3-isopropylidene-D-glucitol is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 74.22 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-O-Acetyl-2,5-anhydro-1,3-isopropylidene-D-glucitol. Following Lipinski's Rule of Five, 4-O-Acetyl-2,5-anhydro-1,3-isopropylidene-D-glucitol has 1 hydrogen bond donor(s) and 6 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 4-O-Acetyl-2,5-anhydro-1,3-isopropylidene-D-glucitol?
The CAS number of 4-O-Acetyl-2,5-anhydro-1,3-isopropylidene-D-glucitol is 70128-28-8.
What is the molecular formula of 4-O-Acetyl-2,5-anhydro-1,3-isopropylidene-D-glucitol?
The molecular formula of 4-O-Acetyl-2,5-anhydro-1,3-isopropylidene-D-glucitol is C11H18O6.
What is the molecular weight of 4-O-Acetyl-2,5-anhydro-1,3-isopropylidene-D-glucitol?
The molecular weight of 4-O-Acetyl-2,5-anhydro-1,3-isopropylidene-D-glucitol is 246.11 g/mol.
Where can I buy 4-O-Acetyl-2,5-anhydro-1,3-isopropylidene-D-glucitol?
You can request a quote for 4-O-Acetyl-2,5-anhydro-1,3-isopropylidene-D-glucitol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-O-Acetyl-2,5-anhydro-1,3-isopropylidene-D-glucitol?
Yes, KEHONG BIO provides custom synthesis services for 4-O-Acetyl-2,5-anhydro-1,3-isopropylidene-D-glucitol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.