TL;DR: AcNHGlc-hexyl-CO3 AZT (CAS 132150-22-2) is a chemical compound with molecular formula C25H38N6O12 and molecular weight 614.25476 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
6-[(2R,3R,4R,5S,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexyl [(2S,3S,5R)-3-azido-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl carbonate
Also Known As: AcNHGlc-hexyl-CO3 AZT, 5'-Alkylglycoside carbonate of 3'-azido-3'-deoxythymidine, Thymidine, 3'-azido-3'-deoxy-, 5'-(6-((2-(acetylamino)-2-deoxy-b-D-glucopyranosyl)oxy)hexyl carbonate), 5'-O-[({6-[(2-Acetamido-2-deoxy-beta-D-glucopyranosyl)oxy]hexyl}oxy)carbonyl]-3'-azido-3'-deoxythymidine, 6-[(2R,3R,4R,5S,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexyl [(2S,3S,5R)-3-azido-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl carbonate
| Molecular Formula | C25H38N6O12 |
| Molecular Weight | 614.25476 g/mol |
| XLogP | 0.2 |
| Topological Polar Surface Area (TPSA) | 217.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 14 |
| Rotatable Bonds | 16 |
| Exact Mass | 614.25476 Da |
| Heavy Atoms | 43 |
| Complexity | 1080.0 |
| SMILES | CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COC(=O)OCCCCCCO[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)NC(=O)C)N=[N+]=[N-] |
| InChIKey | XLSVUDSRCQEFCI-POVHPDDCSA-N |
The XLogP value of 0.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for AcNHGlc-hexyl-CO3 AZT. The TPSA of 217.0 Ų indicates high polarity, suggesting AcNHGlc-hexyl-CO3 AZT may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, AcNHGlc-hexyl-CO3 AZT has 5 hydrogen bond donor(s) and 14 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of AcNHGlc-hexyl-CO3 AZT is 132150-22-2.
The molecular formula of AcNHGlc-hexyl-CO3 AZT is C25H38N6O12.
The molecular weight of AcNHGlc-hexyl-CO3 AZT is 614.25476 g/mol.
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