TL;DR: Adenosine, N,N''-1,6-hexanediylbis- (CAS 111863-61-7) is a chemical compound with molecular formula C26H36N10O8 and molecular weight 616.2717 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(2R,3R,4S,5R)-2-[6-[6-[[9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]purin-6-yl]amino]hexylamino]purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol
Also Known As: Adenosine, N,N''-1,6-hexanediylbis-, (2R,3R,4S,5R)-2-[6-[6-[[9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]purin-6-yl]amino]hexylamino]purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol
| Molecular Formula | C26H36N10O8 |
| Molecular Weight | 616.2717 g/mol |
| XLogP | -1.3 |
| Topological Polar Surface Area (TPSA) | 251.0 Ų |
| Hydrogen Bond Donors | 8 |
| Hydrogen Bond Acceptors | 16 |
| Rotatable Bonds | 13 |
| Exact Mass | 616.2717 Da |
| Heavy Atoms | 44 |
| Complexity | 849.0 |
| SMILES | C1=NC(=C2C(=N1)N(C=N2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)NCCCCCCNC4=C5C(=NC=N4)N(C=N5)[C@H]6[C@@H]([C@@H]([C@H](O6)CO)O)O |
| InChIKey | CMPGORQGZUATMJ-RTZOWOBBSA-N |
The XLogP value of -1.3 indicates that Adenosine, N,N''-1,6-hexanediylbis- is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 251.0 Ų indicates high polarity, suggesting Adenosine, N,N''-1,6-hexanediylbis- may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Adenosine, N,N''-1,6-hexanediylbis- has 8 hydrogen bond donor(s) and 16 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of Adenosine, N,N''-1,6-hexanediylbis- is 111863-61-7.
The molecular formula of Adenosine, N,N''-1,6-hexanediylbis- is C26H36N10O8.
The molecular weight of Adenosine, N,N''-1,6-hexanediylbis- is 616.2717 g/mol.
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