TL;DR: Sulfoenolpyruvate (CAS 1183225-27-5) is a chemical compound with molecular formula C3H4O6S and molecular weight 167.97285 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-sulfooxyprop-2-enoic acid
Also Known As: Sulfoenolpyruvate, SENP, 2-sulfooxyprop-2-enoic acid, 2-(Sulfooxy)acrylic acid, 2-Propenoic acid, 2-(sulfooxy)-
| Molecular Formula | C3H4O6S |
| Molecular Weight | 167.97285 g/mol |
| XLogP | -0.4 |
| Topological Polar Surface Area (TPSA) | 109.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 167.97285 Da |
| Heavy Atoms | 10 |
| Complexity | 243.0 |
| SMILES | C=C(C(=O)O)OS(=O)(=O)O |
| InChIKey | OUSYFDXGONIFSX-UHFFFAOYSA-N |
The XLogP value of -0.4 indicates that Sulfoenolpyruvate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 109.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Sulfoenolpyruvate. Following Lipinski's Rule of Five, Sulfoenolpyruvate has 2 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 Sulfoenolpyruvate is 1183225-27-5.
The molecular formula of Sulfoenolpyruvate is C3H4O6S.
The molecular weight of Sulfoenolpyruvate is 167.97285 g/mol.
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