TL;DR: Thymidine glycol 5'-triphosphate (CAS 106094-52-4) is a chemical compound with molecular formula C10H19N2O16P3 and molecular weight 515.99475 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
[[(2R,3S,5S)-5-(5,6-dihydroxy-5-methyl-2,4-dioxo-1,3-diazinan-1-yl)-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate
Also Known As: Dttp-gly, Thymidine glycol 5'-triphosphate, 5,6-Dihydro-5,6-dihydroxythymidine 5'-(tetrahydrogen triphosphate), [[(2R,3S,5S)-5-(5,6-dihydroxy-5-methyl-2,4-dioxo-1,3-diazinan-1-yl)-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate, Thymidine 5'-(tetrahydrogen triphosphate), 5,6-dihydro-5,6-dihydroxy-
| Molecular Formula | C10H19N2O16P3 |
| Molecular Weight | 515.99475 g/mol |
| XLogP | -6.2 |
| Topological Polar Surface Area (TPSA) | 279.0 Ų |
| Hydrogen Bond Donors | 8 |
| Hydrogen Bond Acceptors | 16 |
| Rotatable Bonds | 8 |
| Exact Mass | 515.99475 Da |
| Heavy Atoms | 31 |
| Complexity | 876.0 |
| SMILES | CC1(C(N(C(=O)NC1=O)[C@@H]2C[C@@H]([C@H](O2)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)O)O |
| InChIKey | IJWFNGSBJBRLIA-IKGVZUFCSA-N |
The XLogP value of -6.2 indicates that Thymidine glycol 5'-triphosphate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 279.0 Ų indicates high polarity, suggesting Thymidine glycol 5'-triphosphate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Thymidine glycol 5'-triphosphate has 8 hydrogen bond donor(s) and 16 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of Thymidine glycol 5'-triphosphate is 106094-52-4.
The molecular formula of Thymidine glycol 5'-triphosphate is C10H19N2O16P3.
The molecular weight of Thymidine glycol 5'-triphosphate is 515.99475 g/mol.
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