TL;DR: 3-(2,3-Dihydroxypropoxy)-2-hydroxypropyl acetate (CAS 59709-42-1) is a chemical compound with molecular formula C8H16O6 and molecular weight 208.09468 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
[3-(2,3-dihydroxypropoxy)-2-hydroxypropyl] acetate
Also Known As: 3- -2-hydroxypropylacetate, 3-(2,3-Dihydroxypropoxy)-2-hydroxypropyl acetate, [3-(2,3-dihydroxypropoxy)-2-hydroxypropyl] acetate, Acetic acid 2,6,7-trihydroxy-4-oxaheptan-1-yl ester, Acetic acid 2-hydroxy-3-(2,3-dihydroxypropoxy)propyl ester
| Molecular Formula | C8H16O6 |
| Molecular Weight | 208.09468 g/mol |
| XLogP | -2.0 |
| Topological Polar Surface Area (TPSA) | 96.2 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 208.09468 Da |
| Heavy Atoms | 14 |
| Complexity | 160.0 |
| SMILES | CC(=O)OCC(COCC(CO)O)O |
| InChIKey | YAXKICQBFWUCLI-UHFFFAOYSA-N |
The XLogP value of -2.0 indicates that 3-(2,3-Dihydroxypropoxy)-2-hydroxypropyl acetate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 96.2 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(2,3-Dihydroxypropoxy)-2-hydroxypropyl acetate. Following Lipinski's Rule of Five, 3-(2,3-Dihydroxypropoxy)-2-hydroxypropyl acetate has 3 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 3-(2,3-Dihydroxypropoxy)-2-hydroxypropyl acetate is 59709-42-1.
The molecular formula of 3-(2,3-Dihydroxypropoxy)-2-hydroxypropyl acetate is C8H16O6.
The molecular weight of 3-(2,3-Dihydroxypropoxy)-2-hydroxypropyl acetate is 208.09468 g/mol.
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