Account 3-Acetyl-1-((2R,3R,4S,5R)-5-((((((((2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl)methoxy)(hydroxy)phosphoryl)oxy)oxidophosphoryl)oxy)methyl)-3,4-dihydroxytetrahydrofuran-2-yl)pyridin-1-ium
- Catalog No. :
- ACCVLA409
- CAS No. :
- 86-08-8
- Molecular Formula :
- C22H28N6O14P2
- Molecular Weight :
- 662.44
IUPAC Name:3-acetyl-1-((2R,3R,4S,5R)-5-((((((((2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl)methoxy)(hydroxy)phosphoryl)oxy)oxidophosphoryl)oxy)methyl)-3,4-dihydroxytetrahydrofuran-2-yl)pyridin-1-ium
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Product Information
| Product Name | 3-Acetyl-1-((2R,3R,4S,5R)-5-((((((((2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl)methoxy)(hydroxy)phosphoryl)oxy)oxidophosphoryl)oxy)methyl)-3,4-dihydroxytetrahydrofuran-2-yl)pyridin-1-ium |
|---|---|
| IUPAC Name | 3-acetyl-1-((2R,3R,4S,5R)-5-((((((((2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl)methoxy)(hydroxy)phosphoryl)oxy)oxidophosphoryl)oxy)methyl)-3,4-dihydroxytetrahydrofuran-2-yl)pyridin-1-ium |
| MDL No. | MFCD00078882 |
| Molecular Formula | C22H28N6O14P2 |
| Molecular Weight | 662.44 |
| SMILES | O[C@H]1[C@@H](O)[C@H]([N+]2=CC=CC(C(C)=O)=C2)O[C@@H]1COP([O-])(OP(O)(OC[C@H]3O[C@@H](N4C=NC5=C(N)N=CN=C45)[C@H](O)[C@@H]3O)=O)=O |
| InChI Key | KPVQNXLUPNWQHM-RBEMOOQDSA-N |
| Synonym | (3-Acetylpyridine)AD | 3-Acetylpyridine-DPN | 3 -Acetyl NAD |
| CAS No. | 86-08-8 |
| PubChem CID | 123926 |
Safety Data
- Pictogram
- Signal Word
- Warning
- Hazard Statement(s)
- H315-H319-H335
- Precautionary Statement(s)
- P261-P305+P351+P338
Synthetic Route by SureRoute
2. ACCVLA409 Molecular Building Block Synthetic Route
sodium (2R,3S,4R,5R)-2-((((((((2R,3S,4R,5R)-5-(3-acetylpyridin-1-ium-1-yl)-3,4-dihydroxytetrahydrofuran-2-yl)methoxy)oxidophosphoryl)oxy)(hydroxy)phosphoryl)oxy)methyl)-5-(6-amino-9H-purin-9-yl)-4-hydroxytetrahydrofuran-3-yl phosphate
Sodium 1-((2R,3R,4S,5R)-5-((((((((2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl)methoxy)(hydroxy)phosphoryl)oxy)oxidophosphoryl)oxy)methyl)-3,4-dihydroxytetrahydrofuran-2-yl)pyridin-1-ium-3-carboxylate
3-Pyridinealdehydeadeninedinucleotide