TL;DR: 3'-Azido-3'-deoxy-5'-((3-hexadecylthio-2-methoxypropyl)phosphoryl)thymidine (CAS 131933-71-6) is a chemical compound with molecular formula C30H53N5NaO8PS and molecular weight 697.325 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
sodium [(2S,3S,5R)-3-azido-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl (3-hexadecylsulfanyl-2-methoxypropyl) phosphate
Also Known As: Ether lipid, ThiophosphoLipid-AZT, 3'-Azido-3'-deoxy-5'-((3-hexadecylthio-2-methoxypropyl)phosphoryl)thymidine, EL, sodium [(2S,3S,5R)-3-azido-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl (3-hexadecylsulfanyl-2-methoxypropyl) phosphate
| Molecular Formula | C30H53N5NaO8PS |
| Molecular Weight | 697.325 g/mol |
| XLogP | 3.54652 |
| Topological Polar Surface Area (TPSA) | 166.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 26 |
| Exact Mass | 697.325 Da |
| Heavy Atoms | 46 |
| Complexity | 1010.0 |
| SMILES | CCCCCCCCCCCCCCCCSCC(COP(=O)([O-])OC[C@@H]1[C@H](C[C@@H](O1)N2C=C(C(=O)NC2=O)C)N=[N+]=[N-])OC.[Na+] |
| InChIKey | DOFYBSBTOUPWRJ-MTJYKNDWSA-M |
The XLogP value of 3.54652 indicates that 3'-Azido-3'-deoxy-5'-((3-hexadecylthio-2-methoxypropyl)phosphoryl)thymidine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 166.0 Ų indicates high polarity, suggesting 3'-Azido-3'-deoxy-5'-((3-hexadecylthio-2-methoxypropyl)phosphoryl)thymidine may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 3'-Azido-3'-deoxy-5'-((3-hexadecylthio-2-methoxypropyl)phosphoryl)thymidine has 1 hydrogen bond donor(s) and 11 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of 3'-Azido-3'-deoxy-5'-((3-hexadecylthio-2-methoxypropyl)phosphoryl)thymidine is 131933-71-6.
The molecular formula of 3'-Azido-3'-deoxy-5'-((3-hexadecylthio-2-methoxypropyl)phosphoryl)thymidine is C30H53N5NaO8PS.
The molecular weight of 3'-Azido-3'-deoxy-5'-((3-hexadecylthio-2-methoxypropyl)phosphoryl)thymidine is 697.325 g/mol.
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