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
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-[(2R,3R,4S,5R)-5-{[({[(2R,3R,4R,5R)-5-(6-amino-9H-purin-9-yl)-3-hydroxy-4-(phosphonooxy)oxolan-2-yl]methoxy}(hydroxy)phosphoryl phosphonato)oxy]methyl}-3,4-dihydroxyoxolan-2-yl]-1lambda5-pyridin-1-ylium|3-Acetyl-1-[5-O-[(2 -O-phosphono-5 -adenylyloxy)oxylatophosphinyl]-beta-D-ribofuranosyl]pyridinium|Adenosine 5'-(trihydrogen diphosphate), 2'-(dihydrogen phosphate), P'-5'-ester with 3-acetyl-1-beta-D-ribofuranosylpyridinium inner salt
| Molecular Formula | C22H29N6O17P3 |
|---|---|
| Molecular Weight | 742.0802 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 |
| Monoisotopic 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 742.0802 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.