TL;DR: Adenosine 5'-(trihydrogen diphosphate), sodium salt (1:2) (CAS 16178-48-6) is a chemical compound with molecular formula C10H13N5Na2O10P2 and molecular weight 470.99332 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
disodium;[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-oxidophosphoryl] hydrogen phosphate
Also Known As: Adenosine 5'-diphosphate disodium salt, Trinosin S Hydrate, Disodium ADP Hydrate, ADP Disodium Dihydrate, Adenosine-5'-diphosphate disodium salt
Top 5 of 4 IPC patent classification(s) from the SureChEMBL global patent database.
| Molecular Formula | C10H13N5Na2O10P2 |
| Molecular Weight | 470.99332 g/mol |
| XLogP | -9.0 |
| Topological Polar Surface Area (TPSA) | 238.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 14 |
| Rotatable Bonds | 6 |
| Exact Mass | 470.99332 Da |
| Heavy Atoms | 29 |
| Complexity | 627.0 |
| SMILES | C1=NC(=C2C(=N1)N(C=N2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)([O-])OP(=O)(O)[O-])O)O)N.[Na+].[Na+] |
| InChIKey | ORKSTPSQHZNDSC-IDIVVRGQSA-L |
The XLogP value of -9.0 indicates that Adenosine 5'-(trihydrogen diphosphate), sodium salt (1:2) is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 238.0 Ų indicates high polarity, suggesting Adenosine 5'-(trihydrogen diphosphate), sodium salt (1:2) may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Adenosine 5'-(trihydrogen diphosphate), sodium salt (1:2) has 4 hydrogen bond donor(s) and 14 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of Adenosine 5'-(trihydrogen diphosphate), sodium salt (1:2) is 16178-48-6.
The molecular formula of Adenosine 5'-(trihydrogen diphosphate), sodium salt (1:2) is C10H13N5Na2O10P2.
The molecular weight of Adenosine 5'-(trihydrogen diphosphate), sodium salt (1:2) is 470.99332 g/mol.
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