Gemcitabine 5'-diphosphate
TL;DR: Gemcitabine 5'-diphosphate (CAS 116371-66-5) is a chemical compound with molecular formula C9H13F2N3O10P2 and molecular weight 423.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(2R,3R,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-4,4-difluoro-3-hydroxyoxolan-2-yl]methyl phosphono hydrogen phosphate
Also Known As: Gemcitabine 5'-diphosphate, DFDCDP, GEMCITABINE DIPHOSPHATE, Gemcitabine-5'-diphosphate, 2'-deoxy-2',2'-difluorocytidine 5'-(trihydrogen diphosphate)
| Molecular Formula | C9H13F2N3O10P2 |
|---|---|
| Molecular Weight | 423.00 g/mol |
| LogP | -1.0546 |
| Topological Polar Surface Area | 203.66 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 6 |
| Exact Mass | 423.00443 |
| Heavy Atoms | 26 |
| Complexity | 828.2094 |
Chemical Identifiers
| CAS Number | 116371-66-5 |
|---|---|
| SMILES | C1=CN(C(=O)N=C1N)[C@H]2C([C@@H]([C@H](O2)COP(=O)(O)OP(=O)(O)O)O)(F)F |
Product Overview
Gemcitabine 5'-diphosphate (CAS 116371-66-5), with molecular formula C9H13F2N3O10P2 and molecular weight 423.00 g/mol. IUPAC: [(2R,3R,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-4,4-difluoro-3-hydroxyoxolan-2-yl]methyl phosphono hydrogen phosphate.
Chemical Property Profile of Gemcitabine 5'-diphosphate
Property Insights of Gemcitabine 5'-diphosphate
The XLogP value of -1.0546 indicates that Gemcitabine 5'-diphosphate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 203.66 Ų indicates high polarity, suggesting Gemcitabine 5'-diphosphate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Gemcitabine 5'-diphosphate has 5 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Gemcitabine 5'-diphosphate?
The CAS number of Gemcitabine 5'-diphosphate is 116371-66-5.
What is the molecular formula of Gemcitabine 5'-diphosphate?
The molecular formula of Gemcitabine 5'-diphosphate is C9H13F2N3O10P2.
What is the molecular weight of Gemcitabine 5'-diphosphate?
The molecular weight of Gemcitabine 5'-diphosphate is 423.00 g/mol.
Where can I buy Gemcitabine 5'-diphosphate?
You can request a quote for Gemcitabine 5'-diphosphate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Gemcitabine 5'-diphosphate?
Yes, KEHONG BIO provides custom synthesis services for Gemcitabine 5'-diphosphate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.