Nicotinamide arabinoside adenine dinucleotide
TL;DR: Nicotinamide arabinoside adenine dinucleotide (CAS 108646-17-9) is a chemical compound with molecular formula C21H27N7O14P2 and molecular weight 663.10913 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(2S,3S,4S,5R)-5-[[[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxymethyl]-2-(3-carbamoylpyridin-1-ium-1-yl)-4-hydroxyoxolan-3-olate
Also Known As: alpha-Naad, beta-NAAD, Nicotinamide arabinoside adenine dinucleotide, (2S,3S,4S,5R)-5-[[[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxymethyl]-2-(3-carbamoylpyridin-1-ium-1-yl)-4-hydroxyoxolan-3-olate, (2S,3S,4S,5R)-5-({[{[{[(2R,3S,4R,5R)-5-(6-Amino-9H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy}(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]oxy}methyl)-2-(3-carbamoylpyridin-1-ium-1-yl)-4-hydroxyoxolan-3-olate
Technical Specifications
| Molecular Formula | C21H27N7O14P2 |
| Molecular Weight | 663.10913 g/mol |
| XLogP | -4.8 |
| Topological Polar Surface Area (TPSA) | 321.0 Ų |
| Hydrogen Bond Donors | 7 |
| Hydrogen Bond Acceptors | 18 |
| Rotatable Bonds | 11 |
| Exact Mass | 663.10913 Da |
| Heavy Atoms | 44 |
| Complexity | 1130.0 |
| 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)O)O)O)[O-])C(=O)N |
| InChIKey | VOXRVZMOBSLKFE-DUYCQTTQSA-N |
Chemical Property Profile of Nicotinamide arabinoside adenine dinucleotide
Property Insights of Nicotinamide arabinoside adenine dinucleotide
The XLogP value of -4.8 indicates that Nicotinamide arabinoside adenine 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 Nicotinamide arabinoside adenine dinucleotide may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Nicotinamide arabinoside adenine dinucleotide has 7 hydrogen bond donor(s) and 18 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of Nicotinamide arabinoside adenine dinucleotide?
The CAS number of Nicotinamide arabinoside adenine dinucleotide is 108646-17-9.
What is the molecular formula of Nicotinamide arabinoside adenine dinucleotide?
The molecular formula of Nicotinamide arabinoside adenine dinucleotide is C21H27N7O14P2.
What is the molecular weight of Nicotinamide arabinoside adenine dinucleotide?
The molecular weight of Nicotinamide arabinoside adenine dinucleotide is 663.10913 g/mol.
Where can I buy Nicotinamide arabinoside adenine dinucleotide?
You can request a quote for Nicotinamide arabinoside adenine dinucleotide directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Nicotinamide arabinoside adenine dinucleotide?
Yes, CoreyChem provides custom synthesis services for Nicotinamide arabinoside adenine dinucleotide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.