DiNa-5'-O-Phosphonomethyl-3'-O-CH3T
TL;DR: DiNa-5'-O-Phosphonomethyl-3'-O-CH3T (CAS 129174-13-6) is a chemical compound with molecular formula C12H17N2O8P-2 and molecular weight 348.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[(2R,4S,5R)-4-methoxy-5-(phosphonatomethoxymethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione
Also Known As: DiNa-5'-O-Phosphonomethyl-3'-O-CH3T, 3'-O-Methyl-5'-O-(phosphonatomethyl)thymidine, Disodium 5'-O-(Phosphonomethyl)-3'-O-methylthymidine, Thymidine, 3'-O-methyl-5'-O-(phosphonomethyl)-, disodium salt, [(2R,3S,5R)-3-methoxy-5-(5-methyl-2,4-dioxo-pyrimidin-1-yl)tetrahydrofuran-2-yl]methoxymethylphosphonic acid
| Molecular Formula | C12H17N2O8P-2 |
|---|---|
| Molecular Weight | 348.07 g/mol |
| LogP | -2.1 |
| Topological Polar Surface Area | 140.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 5 |
| Exact Mass | 348.07227 |
| Heavy Atoms | 23 |
| Complexity | 548.0 |
Chemical Identifiers
| CAS Number | 129174-13-6 |
|---|---|
| SMILES | CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COCP(=O)([O-])[O-])OC |
| InChIKey | FYDUXUJLMBAFGB-IVZWLZJFSA-L |
Product Overview
DiNa-5'-O-Phosphonomethyl-3'-O-CH3T (CAS 129174-13-6), with molecular formula C12H17N2O8P-2 and molecular weight 348.07 g/mol. IUPAC: 1-[(2R,4S,5R)-4-methoxy-5-(phosphonatomethoxymethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione.
Chemical Property Profile of DiNa-5'-O-Phosphonomethyl-3'-O-CH3T
Property Insights of DiNa-5'-O-Phosphonomethyl-3'-O-CH3T
The XLogP value of -2.1 indicates that DiNa-5'-O-Phosphonomethyl-3'-O-CH3T 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-3'-O-CH3T may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, DiNa-5'-O-Phosphonomethyl-3'-O-CH3T has 1 hydrogen bond donor(s) and 8 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-3'-O-CH3T?
The CAS number of DiNa-5'-O-Phosphonomethyl-3'-O-CH3T is 129174-13-6.
What is the molecular formula of DiNa-5'-O-Phosphonomethyl-3'-O-CH3T?
The molecular formula of DiNa-5'-O-Phosphonomethyl-3'-O-CH3T is C12H17N2O8P-2.
What is the molecular weight of DiNa-5'-O-Phosphonomethyl-3'-O-CH3T?
The molecular weight of DiNa-5'-O-Phosphonomethyl-3'-O-CH3T is 348.07 g/mol.
Where can I buy DiNa-5'-O-Phosphonomethyl-3'-O-CH3T?
You can request a quote for DiNa-5'-O-Phosphonomethyl-3'-O-CH3T 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-3'-O-CH3T?
Yes, KEHONG BIO provides custom synthesis services for DiNa-5'-O-Phosphonomethyl-3'-O-CH3T and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.