Adenine-alpha-nicotinamide dinucleotide
TL;DR: Adenine-alpha-nicotinamide dinucleotide (CAS 7298-93-3) is a chemical compound with molecular formula C21H27N7O14P2 and molecular weight 663.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[[(2R,3S,4R,5S)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] [(2R,3S,4R,5S)-5-(3-carbamoylpyridin-1-ium-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl phosphate
Also Known As: alpha-NAD, alpha-Diphosphopyridine nucleotide, A-Diphosphopyridine nucleotide, Adenine-alpha-nicotinamide dinucleotide, alpha-Nicotinamide adenine dinucleotide
| Molecular Formula | C21H27N7O14P2 |
|---|---|
| Molecular Weight | 663.11 g/mol |
| LogP | -6.0 |
| Topological Polar Surface Area | 321.0 Ų |
| Hydrogen Bond Donors | 7 |
| Hydrogen Bond Acceptors | 18 |
| Rotatable Bonds | 11 |
| Exact Mass | 663.10913 |
| Heavy Atoms | 44 |
| Complexity | 1120.0 |
Chemical Identifiers
| CAS Number | 7298-93-3 |
|---|---|
| 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)O)O)O)O)C(=O)N |
| InChIKey | BAWFJGJZGIEFAR-XUWLLVQESA-N |
Product Overview
Adenine-alpha-nicotinamide dinucleotide (CAS 7298-93-3), with molecular formula C21H27N7O14P2 and molecular weight 663.11 g/mol. IUPAC: [[(2R,3S,4R,5S)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] [(2R,3S,4R,5S)-5-(3-carbamoylpyridin-1-ium-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl phosphate.
Chemical Property Profile of Adenine-alpha-nicotinamide dinucleotide
Property Insights of Adenine-alpha-nicotinamide dinucleotide
The XLogP value of -6.0 indicates that Adenine-alpha-nicotinamide dinucleotide is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 321.0 Ų indicates high polarity, suggesting Adenine-alpha-nicotinamide dinucleotide may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Adenine-alpha-nicotinamide dinucleotide has 7 hydrogen bond donor(s) and 18 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Adenine-alpha-nicotinamide dinucleotide?
The CAS number of Adenine-alpha-nicotinamide dinucleotide is 7298-93-3.
What is the molecular formula of Adenine-alpha-nicotinamide dinucleotide?
The molecular formula of Adenine-alpha-nicotinamide dinucleotide is C21H27N7O14P2.
What is the molecular weight of Adenine-alpha-nicotinamide dinucleotide?
The molecular weight of Adenine-alpha-nicotinamide dinucleotide is 663.11 g/mol.
Where can I buy Adenine-alpha-nicotinamide dinucleotide?
You can request a quote for Adenine-alpha-nicotinamide dinucleotide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Adenine-alpha-nicotinamide dinucleotide?
Yes, KEHONG BIO provides custom synthesis services for Adenine-alpha-nicotinamide dinucleotide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.