TL;DR: 8-Azidoadenosine diphosphate glucose (CAS 100634-21-7) is a chemical compound with molecular formula C16H24N8O15P2 and molecular weight 630.0836 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
[[(2R,3S,4R,5R)-5-(6-amino-8-azidopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] [(3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] hydrogen phosphate
Also Known As: 8-Azido-adpglucose, 8-Azidoadenosine diphosphate glucose, [[(2R,3S,4R,5R)-5-(6-amino-8-azidopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] [(3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] hydrogen phosphate, [(2r,3s,4r,5r)-5-(6-amino-8-azidopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl [hydroxy-[(3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphosphoryl] hydrogen phosphate, Adenosine 5'-(trihydrogen diphosphate), 8-azido-, mono-alpha-D-glucopyranosyl ester, labeled with carbon-14
| Molecular Formula | C16H24N8O15P2 |
| Molecular Weight | 630.0836 g/mol |
| XLogP | -5.0 |
| Topological Polar Surface Area (TPSA) | 326.0 Ų |
| Hydrogen Bond Donors | 9 |
| Hydrogen Bond Acceptors | 21 |
| Rotatable Bonds | 10 |
| Exact Mass | 630.0836 Da |
| Heavy Atoms | 41 |
| Complexity | 1080.0 |
| SMILES | C1=NC(=C2C(=N1)N(C(=N2)N=[N+]=[N-])[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OC4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O)O)N |
| InChIKey | UNUATZXMYNAGSY-ZQVROCHNSA-N |
The XLogP value of -5.0 indicates that 8-Azidoadenosine diphosphate glucose is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 326.0 Ų indicates high polarity, suggesting 8-Azidoadenosine diphosphate glucose may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 8-Azidoadenosine diphosphate glucose has 9 hydrogen bond donor(s) and 21 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of 8-Azidoadenosine diphosphate glucose is 100634-21-7.
The molecular formula of 8-Azidoadenosine diphosphate glucose is C16H24N8O15P2.
The molecular weight of 8-Azidoadenosine diphosphate glucose is 630.0836 g/mol.
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