3'-deoxy-3'-nitrothymidine
TL;DR: 3'-deoxy-3'-nitrothymidine (CAS 151753-97-8) is a chemical compound with molecular formula C10H13N3O6 and molecular weight 271.08044 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-[(2R,4S,5S)-5-(hydroxymethyl)-4-nitrooxolan-2-yl]-5-methylpyrimidine-2,4-dione
Also Known As: 3'-deoxy-3'-nitrothymidine, Thymidine, 3'-deoxy-3'-nitro-, 3 -Nitro-3 -deoxythymidine, 3'-Nitro-2',3'-dideoxythymidine, 1-[2,3-Dideoxy-3-nitro-beta-D-erythro-pentofuranosyl]thymine
Technical Specifications
| Molecular Formula | C10H13N3O6 |
| Molecular Weight | 271.08044 g/mol |
| XLogP | -1.1 |
| Topological Polar Surface Area (TPSA) | 125.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 271.08044 Da |
| Heavy Atoms | 19 |
| Complexity | 457.0 |
| SMILES | CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO)[N+](=O)[O-] |
| InChIKey | STLCSWMENRFYNO-XLPZGREQSA-N |
Chemical Property Profile of 3'-deoxy-3'-nitrothymidine
Property Insights of 3'-deoxy-3'-nitrothymidine
The XLogP value of -1.1 indicates that 3'-deoxy-3'-nitrothymidine 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'-deoxy-3'-nitrothymidine. Following Lipinski's Rule of Five, 3'-deoxy-3'-nitrothymidine has 2 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 3'-deoxy-3'-nitrothymidine?
The CAS number of 3'-deoxy-3'-nitrothymidine is 151753-97-8.
What is the molecular formula of 3'-deoxy-3'-nitrothymidine?
The molecular formula of 3'-deoxy-3'-nitrothymidine is C10H13N3O6.
What is the molecular weight of 3'-deoxy-3'-nitrothymidine?
The molecular weight of 3'-deoxy-3'-nitrothymidine is 271.08044 g/mol.
Where can I buy 3'-deoxy-3'-nitrothymidine?
You can request a quote for 3'-deoxy-3'-nitrothymidine directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3'-deoxy-3'-nitrothymidine?
Yes, CoreyChem provides custom synthesis services for 3'-deoxy-3'-nitrothymidine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.