TL;DR: 2'-O-(tert-Butyldimethylsilyl)-3'-deoxy-5'-O-trityluridine (CAS 130860-12-7) is a chemical compound with molecular formula C34H40N2O5Si and molecular weight 584.2706 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-[3-[tert-butyl(dimethyl)silyl]oxy-5-(trityloxymethyl)oxolan-2-yl]pyrimidine-2,4-dione
Also Known As: 2'-O-(tert-Butyldimethylsilyl)-3'-deoxy-5'-O-trityluridine, 1-[3-(dimethyl-tert-butyl-silyl)oxy-5-(trityloxymethyl)oxolan-2-yl]pyrimidine-2,4-dione, 1-[3-[tert-butyl(dimethyl)silyl]oxy-5-(trityloxymethyl)oxolan-2-yl]pyrimidine-2,4-dione
| Molecular Formula | C34H40N2O5Si |
| Molecular Weight | 584.2706 g/mol |
| XLogP | 6.2232 |
| Topological Polar Surface Area (TPSA) | 77.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 10 |
| Exact Mass | 584.2706 Da |
| Heavy Atoms | 42 |
| Complexity | 914.0 |
| SMILES | CC(C)(C)[Si](C)(C)OC1CC(OC1N2C=CC(=O)NC2=O)COC(C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5 |
| InChIKey | BEBBEBKQPQRPHS-UHFFFAOYSA-N |
The XLogP value of 6.2232 indicates that 2'-O-(tert-Butyldimethylsilyl)-3'-deoxy-5'-O-trityluridine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 77.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 2'-O-(tert-Butyldimethylsilyl)-3'-deoxy-5'-O-trityluridine. Following Lipinski's Rule of Five, 2'-O-(tert-Butyldimethylsilyl)-3'-deoxy-5'-O-trityluridine has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of 2'-O-(tert-Butyldimethylsilyl)-3'-deoxy-5'-O-trityluridine is 130860-12-7.
The molecular formula of 2'-O-(tert-Butyldimethylsilyl)-3'-deoxy-5'-O-trityluridine is C34H40N2O5Si.
The molecular weight of 2'-O-(tert-Butyldimethylsilyl)-3'-deoxy-5'-O-trityluridine is 584.2706 g/mol.
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