TL;DR: Naadp+ (CAS 119299-06-8) is a chemical compound with molecular formula C21H28N6O18P3+ and molecular weight 745.0673 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-[(2R,3R,4S,5R)-5-[[[[(2R,3R,4R,5R)-5-(6-aminopurin-9-yl)-3-hydroxy-4-phosphonooxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxymethyl]-3,4-dihydroxyoxolan-2-yl]pyridin-1-ium-3-carboxylic acid
Also Known As: NAADP, NAADP+, beta-NAADP, NAADP tetrasodium salt, NAADP(1+)
| Molecular Formula | C21H28N6O18P3+ |
| Molecular Weight | 745.0673 g/mol |
| XLogP | -6.4 |
| Topological Polar Surface Area (TPSA) | 359.0 Ų |
| Hydrogen Bond Donors | 9 |
| Hydrogen Bond Acceptors | 22 |
| Rotatable Bonds | 13 |
| Exact Mass | 745.0673 Da |
| Heavy Atoms | 48 |
| Complexity | 1300.0 |
| SMILES | C1=CC(=C[N+](=C1)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)OP(=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)N4C=NC5=C(N=CN=C54)N)OP(=O)(O)O)O)O)O)C(=O)O |
| InChIKey | QOTXBMGJKFVZRD-HISDBWNOSA-O |
The XLogP value of -6.4 indicates that Naadp+ is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 359.0 Ų indicates high polarity, suggesting Naadp+ may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Naadp+ has 9 hydrogen bond donor(s) and 22 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of Naadp+ is 119299-06-8.
The molecular formula of Naadp+ is C21H28N6O18P3+.
The molecular weight of Naadp+ is 745.0673 g/mol.
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