Gemcitabine triphosphate
TL;DR: Gemcitabine triphosphate (CAS 1440537-37-0) is a chemical compound with molecular formula C9H14F2N3O13P3 and molecular weight 502.97076 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
[[(2R,3R,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-4,4-difluoro-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate
Also Known As: Gemcitabine triphosphate, dFdCTP, dFdC triphosphate, Gemzar Triphosphate, dF-dCTP
Application Areas
Top 5 of 1 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C9H14F2N3O13P3 |
| Molecular Weight | 502.97076 g/mol |
| XLogP | -5.2 |
| Topological Polar Surface Area (TPSA) | 248.0 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 15 |
| Rotatable Bonds | 8 |
| Exact Mass | 502.97076 Da |
| Heavy Atoms | 30 |
| Complexity | 906.0 |
| SMILES | C1=CN(C(=O)N=C1N)[C@H]2C([C@@H]([C@H](O2)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)(F)F |
| InChIKey | YMOXEIOKAJSRQX-QPPQHZFASA-N |
Chemical Property Profile of Gemcitabine triphosphate
Property Insights of Gemcitabine triphosphate
The XLogP value of -5.2 indicates that Gemcitabine triphosphate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 248.0 Ų indicates high polarity, suggesting Gemcitabine triphosphate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Gemcitabine triphosphate has 6 hydrogen bond donor(s) and 15 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of Gemcitabine triphosphate?
The CAS number of Gemcitabine triphosphate is 1440537-37-0.
What is the molecular formula of Gemcitabine triphosphate?
The molecular formula of Gemcitabine triphosphate is C9H14F2N3O13P3.
What is the molecular weight of Gemcitabine triphosphate?
The molecular weight of Gemcitabine triphosphate is 502.97076 g/mol.
Where can I buy Gemcitabine triphosphate?
You can request a quote for Gemcitabine triphosphate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Gemcitabine triphosphate?
Yes, CoreyChem provides custom synthesis services for Gemcitabine triphosphate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.