TL;DR: [(2S)-2-acetyloxy-3-hydroxypropyl] acetate (CAS 127179-48-0) is a chemical compound with molecular formula C7H12O5 and molecular weight 176.06847 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
[(2S)-2-acetyloxy-3-hydroxypropyl] acetate
Also Known As: Diacetin, L-Glycerol 1,2-diacetate, 1,2-diacetyl-sn-glycerol, 1,2-Didecanoyl-sn-glycerol, 2,3-diacetoxy-propan-1-ol
| Molecular Formula | C7H12O5 |
| Molecular Weight | 176.06847 g/mol |
| XLogP | -0.3 |
| Topological Polar Surface Area (TPSA) | 72.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 176.06847 Da |
| Heavy Atoms | 12 |
| Complexity | 165.0 |
| SMILES | CC(=O)OC[C@H](CO)OC(=O)C |
| InChIKey | UXDDRFCJKNROTO-ZETCQYMHSA-N |
The XLogP value of -0.3 indicates that [(2S)-2-acetyloxy-3-hydroxypropyl] acetate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 72.8 Ų falls within the moderate polarity range, balancing permeability and solubility for [(2S)-2-acetyloxy-3-hydroxypropyl] acetate. Following Lipinski's Rule of Five, [(2S)-2-acetyloxy-3-hydroxypropyl] acetate has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of [(2S)-2-acetyloxy-3-hydroxypropyl] acetate is 127179-48-0.
The molecular formula of [(2S)-2-acetyloxy-3-hydroxypropyl] acetate is C7H12O5.
The molecular weight of [(2S)-2-acetyloxy-3-hydroxypropyl] acetate is 176.06847 g/mol.
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