Niacinamide adenylate
TL;DR: Niacinamide adenylate (CAS 958779-80-1) is a chemical compound with molecular formula C16H17N6O8P and molecular weight 452.08453 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
[(2R,3S,4R,5R)-4-hydroxy-2-(hydroxymethyl)-5-[6-(pyridine-3-carbonylamino)purin-9-yl]oxolan-3-yl] dihydrogen phosphate
Also Known As: Nicotinamide adenylate, NIACINAMIDE ADENYLATE, (2R,3S,4R,5R)-4-Hydroxy-2-(hydroxymethyl)-5-(6-(nicotinamido)-9H-purin-9-yl)tetrahydrofuran-3-yl dihydrogen phosphate, Adenylic acid, compd. with 3-pyridinecarboxamide (1:1), [(2R,3S,4R,5R)-4-hydroxy-2-(hydroxymethyl)-5-[6-(pyridine-3-carbonylamino)purin-9-yl]oxolan-3-yl] dihydrogen phosphate
Technical Specifications
| Molecular Formula | C16H17N6O8P |
| Molecular Weight | 452.08453 g/mol |
| XLogP | -2.8 |
| Topological Polar Surface Area (TPSA) | 202.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 6 |
| Exact Mass | 452.08453 Da |
| Heavy Atoms | 31 |
| Complexity | 699.0 |
| SMILES | C1=CC(=CN=C1)C(=O)NC2=C3C(=NC=N2)N(C=N3)[C@H]4[C@@H]([C@@H]([C@H](O4)CO)OP(=O)(O)O)O |
| InChIKey | ZAAJIZNPDZSLRX-UBEDBUPSSA-N |
Chemical Property Profile of Niacinamide adenylate
Property Insights of Niacinamide adenylate
The XLogP value of -2.8 indicates that Niacinamide adenylate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 202.0 Ų indicates high polarity, suggesting Niacinamide adenylate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Niacinamide adenylate has 5 hydrogen bond donor(s) and 12 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of Niacinamide adenylate?
The CAS number of Niacinamide adenylate is 958779-80-1.
What is the molecular formula of Niacinamide adenylate?
The molecular formula of Niacinamide adenylate is C16H17N6O8P.
What is the molecular weight of Niacinamide adenylate?
The molecular weight of Niacinamide adenylate is 452.08453 g/mol.
Where can I buy Niacinamide adenylate?
You can request a quote for Niacinamide adenylate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Niacinamide adenylate?
Yes, CoreyChem provides custom synthesis services for Niacinamide adenylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.