DiNa-5'-O-Phosphonomethyl-ddC
TL;DR: DiNa-5'-O-Phosphonomethyl-ddC (CAS 129151-68-4) is a chemical compound with molecular formula C10H14N3O6P-2 and molecular weight 303.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-amino-1-[(2R,5S)-5-(phosphonatomethoxymethyl)oxolan-2-yl]pyrimidin-2-one
Also Known As: DiNa-5'-O-Phosphonomethyl-ddC, Disodium 5'-O-(Phosphonomethyl)-2',3'-dideoxycytidine, [(2S,5R)-5-(4-amino-2-oxo-pyrimidin-1-yl)tetrahydrofuran-2-yl]methoxymethylphosphonic acid, Cytidine, 2',3'-dideoxy-5'-O-(phosphonomethyl)-, disodium salt, ({[(2S,5R)-5-(4-Amino-2-oxopyrimidin-1(2H)-yl)oxolan-2-yl]methoxy}methyl)phosphonate
| Molecular Formula | C10H14N3O6P-2 |
|---|---|
| Molecular Weight | 303.06 g/mol |
| LogP | -3.6 |
| Topological Polar Surface Area | 140.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 303.062 |
| Heavy Atoms | 20 |
| Complexity | 476.0 |
Chemical Identifiers
| CAS Number | 129151-68-4 |
|---|---|
| SMILES | C1C[C@@H](O[C@@H]1COCP(=O)([O-])[O-])N2C=CC(=NC2=O)N |
| InChIKey | PUYUGXWLHRCCND-IONNQARKSA-L |
Product Overview
DiNa-5'-O-Phosphonomethyl-ddC (CAS 129151-68-4), with molecular formula C10H14N3O6P-2 and molecular weight 303.06 g/mol. IUPAC: 4-amino-1-[(2R,5S)-5-(phosphonatomethoxymethyl)oxolan-2-yl]pyrimidin-2-one.
Chemical Property Profile of DiNa-5'-O-Phosphonomethyl-ddC
Property Insights of DiNa-5'-O-Phosphonomethyl-ddC
The XLogP value of -3.6 indicates that DiNa-5'-O-Phosphonomethyl-ddC is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 140.0 Ų indicates high polarity, suggesting DiNa-5'-O-Phosphonomethyl-ddC may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, DiNa-5'-O-Phosphonomethyl-ddC has 1 hydrogen bond donor(s) and 6 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 DiNa-5'-O-Phosphonomethyl-ddC?
The CAS number of DiNa-5'-O-Phosphonomethyl-ddC is 129151-68-4.
What is the molecular formula of DiNa-5'-O-Phosphonomethyl-ddC?
The molecular formula of DiNa-5'-O-Phosphonomethyl-ddC is C10H14N3O6P-2.
What is the molecular weight of DiNa-5'-O-Phosphonomethyl-ddC?
The molecular weight of DiNa-5'-O-Phosphonomethyl-ddC is 303.06 g/mol.
Where can I buy DiNa-5'-O-Phosphonomethyl-ddC?
You can request a quote for DiNa-5'-O-Phosphonomethyl-ddC directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for DiNa-5'-O-Phosphonomethyl-ddC?
Yes, KEHONG BIO provides custom synthesis services for DiNa-5'-O-Phosphonomethyl-ddC and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.