TL;DR: ({[(Oxolan-2-yl)methyl]amino}methylene)bis(phosphonic acid) (CAS 126661-83-4) is a chemical compound with molecular formula C6H15NO7P2 and molecular weight 275.03238 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
[(oxolan-2-ylmethylamino)-phosphonomethyl]phosphonic acid
Also Known As: KST-1B0115, [(oxolan-2-ylmethylamino)-phosphonomethyl]phosphonic acid, ({[(Oxolan-2-yl)methyl]amino}methylene)bis(phosphonic acid), {[(tetrahydrofuran-2-ylmethyl)amino]methanediyl}bis(phosphonic acid), Phosphonic acid,[[[(tetrahydro-2-furanyl)methyl]amino]methylene]bis- (9CI)
| Molecular Formula | C6H15NO7P2 |
| Molecular Weight | 275.03238 g/mol |
| XLogP | -5.5 |
| Topological Polar Surface Area (TPSA) | 136.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 5 |
| Exact Mass | 275.03238 Da |
| Heavy Atoms | 16 |
| Complexity | 301.0 |
| SMILES | C1CC(OC1)CNC(P(=O)(O)O)P(=O)(O)O |
| InChIKey | VGQJHYWSFMLJCW-UHFFFAOYSA-N |
The XLogP value of -5.5 indicates that ({[(Oxolan-2-yl)methyl]amino}methylene)bis(phosphonic acid) is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 136.0 Ų falls within the moderate polarity range, balancing permeability and solubility for ({[(Oxolan-2-yl)methyl]amino}methylene)bis(phosphonic acid). Following Lipinski's Rule of Five, ({[(Oxolan-2-yl)methyl]amino}methylene)bis(phosphonic acid) has 5 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of ({[(Oxolan-2-yl)methyl]amino}methylene)bis(phosphonic acid) is 126661-83-4.
The molecular formula of ({[(Oxolan-2-yl)methyl]amino}methylene)bis(phosphonic acid) is C6H15NO7P2.
The molecular weight of ({[(Oxolan-2-yl)methyl]amino}methylene)bis(phosphonic acid) is 275.03238 g/mol.
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