3-Acetylpyridine-adenine dinucleotide phosphate
TL;DR: 3-Acetylpyridine-adenine dinucleotide phosphate (CAS 341-67-3) is a chemical compound with molecular formula C22H29N6O17P3 and molecular weight 742.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(2R,3S,4R,5R)-5-(3-acetylpyridin-1-ium-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl [[(2R,3R,4R,5R)-5-(6-aminopurin-9-yl)-3-hydroxy-4-phosphonooxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphate
Also Known As: 3-Acetylpyridine-nadp, APADP, 3-Acetylpyridine-adenine dinucleotide phosphate, [(2R,3S,4R,5R)-5-(3-acetylpyridin-1-ium-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl [[(2R,3R,4R,5R)-5-(6-aminopurin-9-yl)-3-hydroxy-4-phosphonooxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphate, 3-Acetyl-1-[5-O-[(2 -O-phosphono-5 -adenylyloxy)oxylatophosphinyl]-beta-D-ribofuranosyl]pyridinium
| Molecular Formula | C22H29N6O17P3 |
|---|---|
| Molecular Weight | 742.08 g/mol |
| LogP | -2.4272 |
| Topological Polar Surface Area | 341.6 Ų |
| Hydrogen Bond Donors | 7 |
| Hydrogen Bond Acceptors | 18 |
| Rotatable Bonds | 13 |
| Exact Mass | 742.0802 |
| Heavy Atoms | 48 |
| Complexity | 1808.346 |
Chemical Identifiers
| CAS Number | 341-67-3 |
|---|---|
| SMILES | CC(=O)C1=C[N+](=CC=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)OP(=O)(O)O)O)O)O |
Product Overview
3-Acetylpyridine-adenine dinucleotide phosphate (CAS 341-67-3), with molecular formula C22H29N6O17P3 and molecular weight 742.08 g/mol. IUPAC: [(2R,3S,4R,5R)-5-(3-acetylpyridin-1-ium-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl [[(2R,3R,4R,5R)-5-(6-aminopurin-9-yl)-3-hydroxy-4-phosphonooxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphate.
Chemical Property Profile of 3-Acetylpyridine-adenine dinucleotide phosphate
Property Insights of 3-Acetylpyridine-adenine dinucleotide phosphate
The XLogP value of -2.4272 indicates that 3-Acetylpyridine-adenine dinucleotide phosphate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 341.6 Ų indicates high polarity, suggesting 3-Acetylpyridine-adenine dinucleotide phosphate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 3-Acetylpyridine-adenine dinucleotide phosphate 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 3-Acetylpyridine-adenine dinucleotide phosphate?
The CAS number of 3-Acetylpyridine-adenine dinucleotide phosphate is 341-67-3.
What is the molecular formula of 3-Acetylpyridine-adenine dinucleotide phosphate?
The molecular formula of 3-Acetylpyridine-adenine dinucleotide phosphate is C22H29N6O17P3.
What is the molecular weight of 3-Acetylpyridine-adenine dinucleotide phosphate?
The molecular weight of 3-Acetylpyridine-adenine dinucleotide phosphate is 742.08 g/mol.
Where can I buy 3-Acetylpyridine-adenine dinucleotide phosphate?
You can request a quote for 3-Acetylpyridine-adenine 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-Acetylpyridine-adenine dinucleotide phosphate?
Yes, KEHONG BIO provides custom synthesis services for 3-Acetylpyridine-adenine dinucleotide phosphate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.