3'-OCOONa-ddT
TL;DR: 3'-OCOONa-ddT (CAS 22423-07-0) is a chemical compound with molecular formula C12H16N2O7 and molecular weight 300.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(2R,3S,5R)-2-(hydroxymethyl)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxyacetic acid
Also Known As: 3'-OCOONa-ddT, 3'-O-(Carboxymethyl)thymidine, 3'-O-(carboxymethyl) thymidine, Thymidine, 3'-O-(carboxymethyl)-, 2-[(2R,3S,5R)-2-(hydroxymethyl)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxyacetic acid
| Molecular Formula | C12H16N2O7 |
|---|---|
| Molecular Weight | 300.10 g/mol |
| LogP | -1.2 |
| Topological Polar Surface Area | 125.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 300.09576 |
| Heavy Atoms | 21 |
| Complexity | 490.0 |
Chemical Identifiers
| CAS Number | 22423-07-0 |
|---|---|
| SMILES | CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO)OCC(=O)O |
| InChIKey | UGGFAVYFKYAKJM-DJLDLDEBSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3'-OCOONa-ddT (CAS 22423-07-0), with molecular formula C12H16N2O7 and molecular weight 300.10 g/mol. IUPAC: 2-[(2R,3S,5R)-2-(hydroxymethyl)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxyacetic acid.
Chemical Property Profile of 3'-OCOONa-ddT
Property Insights of 3'-OCOONa-ddT
The XLogP value of -1.2 indicates that 3'-OCOONa-ddT is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 125.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 3'-OCOONa-ddT. Following Lipinski's Rule of Five, 3'-OCOONa-ddT has 3 hydrogen bond donor(s) and 7 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 3'-OCOONa-ddT?
The CAS number of 3'-OCOONa-ddT is 22423-07-0.
What is the molecular formula of 3'-OCOONa-ddT?
The molecular formula of 3'-OCOONa-ddT is C12H16N2O7.
What is the molecular weight of 3'-OCOONa-ddT?
The molecular weight of 3'-OCOONa-ddT is 300.10 g/mol.
Where can I buy 3'-OCOONa-ddT?
You can request a quote for 3'-OCOONa-ddT directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3'-OCOONa-ddT?
Yes, KEHONG BIO provides custom synthesis services for 3'-OCOONa-ddT and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.