TL;DR: EMTRICITABINE TRIPHOSPHATE (CAS 1188407-46-6) is a chemical compound with molecular formula C8H13FN3O12P3S and molecular weight 486.94168 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
[[(2R,5S)-5-(4-amino-5-fluoro-2-oxopyrimidin-1-yl)-1,3-oxathiolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate
Also Known As: EMTRICITABINE TRIPHOSPHATE, L-FSddCTP, FTCTP, (-)-FTC triphosphate, Discontinued See E525075
| Molecular Formula | C8H13FN3O12P3S |
| Molecular Weight | 486.94168 g/mol |
| XLogP | -4.2 |
| Topological Polar Surface Area (TPSA) | 253.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 14 |
| Rotatable Bonds | 8 |
| Exact Mass | 486.94168 Da |
| Heavy Atoms | 28 |
| Complexity | 846.0 |
| SMILES | C1[C@H](O[C@H](S1)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)N2C=C(C(=NC2=O)N)F |
| InChIKey | WIEOLFZNMKSGEX-NTSWFWBYSA-N |
The XLogP value of -4.2 indicates that EMTRICITABINE TRIPHOSPHATE is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 253.0 Ų indicates high polarity, suggesting EMTRICITABINE TRIPHOSPHATE may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, EMTRICITABINE TRIPHOSPHATE has 5 hydrogen bond donor(s) and 14 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of EMTRICITABINE TRIPHOSPHATE is 1188407-46-6.
The molecular formula of EMTRICITABINE TRIPHOSPHATE is C8H13FN3O12P3S.
The molecular weight of EMTRICITABINE TRIPHOSPHATE is 486.94168 g/mol.
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