TL;DR: Sorbitol 3-phosphate (CAS 121955-14-4) is a chemical compound with molecular formula C6H15O9P and molecular weight 262.04538 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
[(2S,3R,4R,5R)-1,2,4,5,6-pentahydroxyhexan-3-yl] dihydrogen phosphate
Also Known As: Sorbitol 3-phosphate, Sorbitol-3-phosphate, D-glucitol 3-phosphate, D-sorbitol 3-phosphate, 3-O-phosphono-D-glucitol
Top 5 of 1 IPC patent classification(s) from the SureChEMBL global patent database.
| Molecular Formula | C6H15O9P |
| Molecular Weight | 262.04538 g/mol |
| XLogP | -4.7 |
| Topological Polar Surface Area (TPSA) | 168.0 Ų |
| Hydrogen Bond Donors | 7 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 7 |
| Exact Mass | 262.04538 Da |
| Heavy Atoms | 16 |
| Complexity | 240.0 |
| SMILES | C([C@H]([C@H]([C@@H]([C@H](CO)O)OP(=O)(O)O)O)O)O |
| InChIKey | RSCVCIHYYQHRMQ-JGWLITMVSA-N |
The XLogP value of -4.7 indicates that Sorbitol 3-phosphate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 168.0 Ų indicates high polarity, suggesting Sorbitol 3-phosphate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Sorbitol 3-phosphate has 7 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of Sorbitol 3-phosphate is 121955-14-4.
The molecular formula of Sorbitol 3-phosphate is C6H15O9P.
The molecular weight of Sorbitol 3-phosphate is 262.04538 g/mol.
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