TL;DR: 6-O-Phosphonohexopyranose (CAS 2071722-98-8) is a chemical compound with molecular formula C6H13O9P and molecular weight 260.02972 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(3,4,5,6-tetrahydroxyoxan-2-yl)methyl dihydrogen phosphate
Also Known As: 6-o-phosphonohexopyranose, Juvidex, Robison ester, D-hexose 6-phosphate, mannose-6-phosphate
Top 5 of 13 IPC patent classification(s) from the SureChEMBL global patent database.
| Molecular Formula | C6H13O9P |
| Molecular Weight | 260.02972 g/mol |
| XLogP | -4.2 |
| Topological Polar Surface Area (TPSA) | 157.0 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 3 |
| Exact Mass | 260.02972 Da |
| Heavy Atoms | 16 |
| Complexity | 277.0 |
| SMILES | C(C1C(C(C(C(O1)O)O)O)O)OP(=O)(O)O |
| InChIKey | NBSCHQHZLSJFNQ-UHFFFAOYSA-N |
The XLogP value of -4.2 indicates that 6-O-Phosphonohexopyranose is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 157.0 Ų indicates high polarity, suggesting 6-O-Phosphonohexopyranose may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 6-O-Phosphonohexopyranose has 6 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of 6-O-Phosphonohexopyranose is 2071722-98-8.
The molecular formula of 6-O-Phosphonohexopyranose is C6H13O9P.
The molecular weight of 6-O-Phosphonohexopyranose is 260.02972 g/mol.
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