3-Aminopyridine-1,N(6)-ethenoadenine dinucleotide phosphate
TL;DR: 3-Aminopyridine-1,N(6)-ethenoadenine dinucleotide phosphate (CAS 87865-72-3) is a chemical compound with molecular formula C22H28N7O16P3 and molecular weight 739.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(2R,3S,4R,5R)-5-(3-aminopyridin-1-ium-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl [hydroxy-[[(2R,3R,4R,5R)-3-hydroxy-5-imidazo[2,1-f]purin-3-yl-4-phosphonooxyoxolan-2-yl]methoxy]phosphoryl] phosphate
Also Known As: AADP, 3-Aminopyridine-1,N(6)-ethenoadenine dinucleotide phosphate, [(2R,3S,4R,5R)-5-(3-aminopyridin-1-ium-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl [hydroxy-[[(2R,3R,4R,5R)-3-hydroxy-5-imidazo[2,1-f]purin-3-yl-4-phosphonooxyoxolan-2-yl]methoxy]phosphoryl] phosphate, Pyridinium, 3-amino-1-(5-O-(hydroxy(phosphonooxy)phosphinyl)-beta-D-ribofuranosyl)-, P'-5'-ester with 3-(2-O-phosphono-beta-D-ribofuranosyl)-3H-imidazo(2,1-i)purine, inner salt, Pyridinium, 3-amino-1-(5-O-(hydroxy(phosphonooxy)phosphinyl)-beta-D-ribofuranosyl)-, P'->5'-ester with 3-(2-O-phosphono-beta-D-ribofuranosyl)-3H-imidazo(2,1-i)purine, innner salt
| Molecular Formula | C22H28N7O16P3 |
|---|---|
| Molecular Weight | 739.08 g/mol |
| LogP | -5.4 |
| Topological Polar Surface Area | 329.0 Ų |
| Hydrogen Bond Donors | 7 |
| Hydrogen Bond Acceptors | 20 |
| Rotatable Bonds | 12 |
| Exact Mass | 739.08057 |
| Heavy Atoms | 48 |
| Complexity | 1280.0 |
Chemical Identifiers
| CAS Number | 87865-72-3 |
|---|---|
| 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=C4N=CN6C5=NC=C6)OP(=O)(O)O)O)O)O)N |
| InChIKey | KJYUBJHMKOUNIF-RBEMOOQDSA-N |
Product Overview
3-Aminopyridine-1,N(6)-ethenoadenine dinucleotide phosphate (CAS 87865-72-3), with molecular formula C22H28N7O16P3 and molecular weight 739.08 g/mol. IUPAC: [(2R,3S,4R,5R)-5-(3-aminopyridin-1-ium-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl [hydroxy-[[(2R,3R,4R,5R)-3-hydroxy-5-imidazo[2,1-f]purin-3-yl-4-phosphonooxyoxolan-2-yl]methoxy]phosphoryl] phosphate.
Chemical Property Profile of 3-Aminopyridine-1,N(6)-ethenoadenine dinucleotide phosphate
Property Insights of 3-Aminopyridine-1,N(6)-ethenoadenine dinucleotide phosphate
The XLogP value of -5.4 indicates that 3-Aminopyridine-1,N(6)-ethenoadenine dinucleotide phosphate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 329.0 Ų indicates high polarity, suggesting 3-Aminopyridine-1,N(6)-ethenoadenine dinucleotide phosphate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 3-Aminopyridine-1,N(6)-ethenoadenine dinucleotide phosphate has 7 hydrogen bond donor(s) and 20 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-1,N(6)-ethenoadenine dinucleotide phosphate?
The CAS number of 3-Aminopyridine-1,N(6)-ethenoadenine dinucleotide phosphate is 87865-72-3.
What is the molecular formula of 3-Aminopyridine-1,N(6)-ethenoadenine dinucleotide phosphate?
The molecular formula of 3-Aminopyridine-1,N(6)-ethenoadenine dinucleotide phosphate is C22H28N7O16P3.
What is the molecular weight of 3-Aminopyridine-1,N(6)-ethenoadenine dinucleotide phosphate?
The molecular weight of 3-Aminopyridine-1,N(6)-ethenoadenine dinucleotide phosphate is 739.08 g/mol.
Where can I buy 3-Aminopyridine-1,N(6)-ethenoadenine dinucleotide phosphate?
You can request a quote for 3-Aminopyridine-1,N(6)-ethenoadenine dinucleotide phosphate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Aminopyridine-1,N(6)-ethenoadenine dinucleotide phosphate?
Yes, KEHONG BIO provides custom synthesis services for 3-Aminopyridine-1,N(6)-ethenoadenine dinucleotide phosphate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.