3-Aminopyridine adenine dinucleotide
TL;DR: 3-Aminopyridine adenine dinucleotide (CAS 21106-96-7) is a chemical compound with molecular formula C20H27N7O13P2 and molecular weight 635.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2R,3R,4S,5R)-5-[[[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxymethyl]-2-(3-aminopyridin-1-ium-1-yl)-4-hydroxyoxolan-3-olate
Also Known As: 3-Apadn, 3-Aminopyridine adenine dinucleotide, 3-Aminopyridine adenosine dinucleotide, (2R,3R,4S,5R)-5-[[[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxymethyl]-2-(3-aminopyridin-1-ium-1-yl)-4-hydroxyoxolan-3-olate, Adenosine 5'-(trihydrogen diphosphate), P'-5'-ester with 3-amino-1-beta-D-ribofuranosylpyridinium inner salt
| Molecular Formula | C20H27N7O13P2 |
|---|---|
| Molecular Weight | 635.11 g/mol |
| LogP | -3.1646 |
| Topological Polar Surface Area | 304.02 Ų |
| Hydrogen Bond Donors | 7 |
| Hydrogen Bond Acceptors | 16 |
| Rotatable Bonds | 10 |
| Exact Mass | 635.1142 |
| Heavy Atoms | 42 |
| Complexity | 1530.4612 |
Chemical Identifiers
| CAS Number | 21106-96-7 |
|---|---|
| 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-])N |
Product Overview
3-Aminopyridine adenine dinucleotide (CAS 21106-96-7), with molecular formula C20H27N7O13P2 and molecular weight 635.11 g/mol. IUPAC: (2R,3R,4S,5R)-5-[[[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxymethyl]-2-(3-aminopyridin-1-ium-1-yl)-4-hydroxyoxolan-3-olate.
Chemical Property Profile of 3-Aminopyridine adenine dinucleotide
Property Insights of 3-Aminopyridine adenine dinucleotide
The XLogP value of -3.1646 indicates that 3-Aminopyridine adenine dinucleotide is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 304.02 Ų indicates high polarity, suggesting 3-Aminopyridine adenine dinucleotide may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 3-Aminopyridine adenine dinucleotide has 7 hydrogen bond donor(s) and 16 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3-Aminopyridine adenine dinucleotide?
The CAS number of 3-Aminopyridine adenine dinucleotide is 21106-96-7.
What is the molecular formula of 3-Aminopyridine adenine dinucleotide?
The molecular formula of 3-Aminopyridine adenine dinucleotide is C20H27N7O13P2.
What is the molecular weight of 3-Aminopyridine adenine dinucleotide?
The molecular weight of 3-Aminopyridine adenine dinucleotide is 635.11 g/mol.
Where can I buy 3-Aminopyridine adenine dinucleotide?
You can request a quote for 3-Aminopyridine 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-Aminopyridine adenine dinucleotide?
Yes, KEHONG BIO provides custom synthesis services for 3-Aminopyridine adenine dinucleotide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.