3-Azidopyridine-adenine dinucleotide
TL;DR: 3-Azidopyridine-adenine dinucleotide (CAS 5453-52-1) is a chemical compound with molecular formula C20H25N9O13P2 and molecular weight 661.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2R,3R,4S,5R)-4-[[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-2-(3-azidopyridin-1-ium-1-yl)-5-(hydroxymethyl)oxolan-3-olate
Also Known As: 3-Azidopyridine-adenine dinucleotide, KST-1A5842, Benzene,1-chloro-2,4-diisocyanato-3-methyl, (2R,3R,4S,5R)-4-[[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-2-(3-azidopyridin-1-ium-1-yl)-5-(hydroxymethyl)oxolan-3-olate, (2r,3r,4r,5r)-4-{[{[{[(2r,3s,4r,5r)-5-(6-amino-9h-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methoxy}(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]oxy}-2-(3-azidopyridinium-1-yl)-5-(hydroxymethyl)tetrahydrofuran-3-olate(non-preferred name)
| Molecular Formula | C20H25N9O13P2 |
|---|---|
| Molecular Weight | 661.10 g/mol |
| LogP | -2.8 |
| Topological Polar Surface Area | 292.0 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 19 |
| Rotatable Bonds | 11 |
| Exact Mass | 661.10474 |
| Heavy Atoms | 44 |
| Complexity | 1160.0 |
Chemical Identifiers
| CAS Number | 5453-52-1 |
|---|---|
| SMILES | C1=CC(=C[N+](=C1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO)OP(=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-])N=[N+]=[N-] |
| InChIKey | MZCCDFKWCAZTHE-HISDBWNOSA-N |
Product Overview
3-Azidopyridine-adenine dinucleotide (CAS 5453-52-1), with molecular formula C20H25N9O13P2 and molecular weight 661.10 g/mol. IUPAC: (2R,3R,4S,5R)-4-[[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-2-(3-azidopyridin-1-ium-1-yl)-5-(hydroxymethyl)oxolan-3-olate.
Chemical Property Profile of 3-Azidopyridine-adenine dinucleotide
Property Insights of 3-Azidopyridine-adenine dinucleotide
The XLogP value of -2.8 indicates that 3-Azidopyridine-adenine dinucleotide is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 292.0 Ų indicates high polarity, suggesting 3-Azidopyridine-adenine dinucleotide may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 3-Azidopyridine-adenine dinucleotide has 6 hydrogen bond donor(s) and 19 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3-Azidopyridine-adenine dinucleotide?
The CAS number of 3-Azidopyridine-adenine dinucleotide is 5453-52-1.
What is the molecular formula of 3-Azidopyridine-adenine dinucleotide?
The molecular formula of 3-Azidopyridine-adenine dinucleotide is C20H25N9O13P2.
What is the molecular weight of 3-Azidopyridine-adenine dinucleotide?
The molecular weight of 3-Azidopyridine-adenine dinucleotide is 661.10 g/mol.
Where can I buy 3-Azidopyridine-adenine dinucleotide?
You can request a quote for 3-Azidopyridine-adenine dinucleotide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Azidopyridine-adenine dinucleotide?
Yes, KEHONG BIO provides custom synthesis services for 3-Azidopyridine-adenine dinucleotide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.