TL;DR: Thymidine, 3'-azido-P,3'-dideoxy-P-methylthymidylyl-(5'.5')-3'-azido-3'-deoxy- (CAS 131293-25-9) is a chemical compound with molecular formula C21H27N10O9P and molecular weight 594.17 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-[(2S,4R,5R)-4-azido-5-[[[(2S,3S,5R)-3-azido-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-methylphosphoryl]oxymethyl]oxolan-2-yl]-5-methylpyrimidine-2,4-dione
Also Known As: AZT-PO3(CH3)-AZT, O,O'-Bis(3'-azido-3'-deoxythymidin-5'-yl)methylphosphonate, Thymidine, 3'-azido-P,3'-dideoxy-P-methylthymidylyl-(5'.5')-3'-azido-3'-deoxy-, [(2R,3R,5S)-3-Azido-5-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)oxolan-2-yl]methyl [(2S,3S,5R)-3-azido-5-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)oxolan-2-yl]methyl methylphosphonate, 1-[(2R,4S,5S)-4-azido-5-[[[(2R,3R,5S)-3-azido-5-(5-methyl-2,4-dioxo-pyrimidin-1-yl)tetrahydrofuran-2-yl]methoxy-methyl-phosphoryl]oxymethyl]tetrahydrofuran-2-yl]-5-methyl-pyrimidine-2,4-dione
| Molecular Formula | C21H27N10O9P |
| Molecular Weight | 594.17 g/mol |
| XLogP | 0.5 |
| Topological Polar Surface Area (TPSA) | 182.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 13 |
| Rotatable Bonds | 10 |
| Exact Mass | 594.17 Da |
| Heavy Atoms | 41 |
| Complexity | 1240.0 |
| SMILES | CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COP(=O)(C)OC[C@H]3[C@@H](C[C@H](O3)N4C=C(C(=O)NC4=O)C)N=[N+]=[N-])N=[N+]=[N-] |
| InChIKey | SGSGYWXHZVOHIO-VQBKXICFSA-N |
The XLogP value of 0.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Thymidine, 3'-azido-P,3'-dideoxy-P-methylthymidylyl-(5'.5')-3'-azido-3'-deoxy-. The TPSA of 182.0 Ų indicates high polarity, suggesting Thymidine, 3'-azido-P,3'-dideoxy-P-methylthymidylyl-(5'.5')-3'-azido-3'-deoxy- may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Thymidine, 3'-azido-P,3'-dideoxy-P-methylthymidylyl-(5'.5')-3'-azido-3'-deoxy- has 2 hydrogen bond donor(s) and 13 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of Thymidine, 3'-azido-P,3'-dideoxy-P-methylthymidylyl-(5'.5')-3'-azido-3'-deoxy- is 131293-25-9.
The molecular formula of Thymidine, 3'-azido-P,3'-dideoxy-P-methylthymidylyl-(5'.5')-3'-azido-3'-deoxy- is C21H27N10O9P.
The molecular weight of Thymidine, 3'-azido-P,3'-dideoxy-P-methylthymidylyl-(5'.5')-3'-azido-3'-deoxy- is 594.17 g/mol.
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