Gemcitabine monophosphate
TL;DR: Gemcitabine monophosphate (CAS 1638288-31-9) is a chemical compound with molecular formula C9H12F2N3O7P and molecular weight 343.0381 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]methyl dihydrogen phosphate
Also Known As: Gemcitabine monophosphate, dFdCMP, Gemcitabinemonophosphate, Gemcitabine 5'-monophosphate, 5'-Cytidylic acid, 2'-deoxy-2',2'-difluoro-
Technical Specifications
| Molecular Formula | C9H12F2N3O7P |
| Molecular Weight | 343.0381 g/mol |
| XLogP | -3.0 |
| Topological Polar Surface Area (TPSA) | 155.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 4 |
| Exact Mass | 343.0381 Da |
| Heavy Atoms | 22 |
| Complexity | 578.0 |
| SMILES | C1=CN(C(=O)N=C1N)[C@H]2C([C@@H]([C@H](O2)COP(=O)(O)O)O)(F)F |
| InChIKey | KNTREFQOVSMROS-QPPQHZFASA-N |
Chemical Property Profile of Gemcitabine monophosphate
Property Insights of Gemcitabine monophosphate
The XLogP value of -3.0 indicates that Gemcitabine monophosphate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 155.0 Ų indicates high polarity, suggesting Gemcitabine monophosphate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Gemcitabine monophosphate has 4 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of Gemcitabine monophosphate?
The CAS number of Gemcitabine monophosphate is 1638288-31-9.
What is the molecular formula of Gemcitabine monophosphate?
The molecular formula of Gemcitabine monophosphate is C9H12F2N3O7P.
What is the molecular weight of Gemcitabine monophosphate?
The molecular weight of Gemcitabine monophosphate is 343.0381 g/mol.
Where can I buy Gemcitabine monophosphate?
You can request a quote for Gemcitabine monophosphate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Gemcitabine monophosphate?
Yes, CoreyChem provides custom synthesis services for Gemcitabine monophosphate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.