TL;DR: Selenazofurin 5'-triphosphate (CAS 100647-95-8) is a chemical compound with molecular formula C9H15N2O14P3Se and molecular weight 547.89014 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
[[(2R,3S,4R,5R)-5-(4-carbamoyl-1,3-selenazol-2-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate
Also Known As: Seaztp, Selenazofurin 5'-triphosphate, selenazofurin 5/'-triphosphate, [[(2R,3S,4R,5R)-5-(4-carbamoyl-1,3-selenazol-2-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate, ((2R,3S,4R,5R)-5-(4-Carbamoyl-1,3-selenazol-2-yl)-3,4-dihydroxytetrahydrofuran-2-yl)methyl tetrahydrogen triphosphate
| Molecular Formula | C9H15N2O14P3Se |
| Molecular Weight | 547.89014 g/mol |
| XLogP | -2.2575 |
| Topological Polar Surface Area (TPSA) | 265.0 Ų |
| Hydrogen Bond Donors | 7 |
| Hydrogen Bond Acceptors | 15 |
| Rotatable Bonds | 9 |
| Exact Mass | 547.89014 Da |
| Heavy Atoms | 29 |
| Complexity | 763.0 |
| SMILES | C1=C(N=C([Se]1)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)O)C(=O)N |
| InChIKey | RYYVEQRSAOQYDB-DBRKOABJSA-N |
The XLogP value of -2.2575 indicates that Selenazofurin 5'-triphosphate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 265.0 Ų indicates high polarity, suggesting Selenazofurin 5'-triphosphate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Selenazofurin 5'-triphosphate has 7 hydrogen bond donor(s) and 15 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of Selenazofurin 5'-triphosphate is 100647-95-8.
The molecular formula of Selenazofurin 5'-triphosphate is C9H15N2O14P3Se.
The molecular weight of Selenazofurin 5'-triphosphate is 547.89014 g/mol.
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