Account 1-((2R,3R,4S,5R)-5-((((((((2R,3R,4R,5R)-5-(6-Amino-9H-purin-9-yl)-3-hydroxy-4-(phosphonooxy)tetrahydrofuran-2-yl)methoxy)(hydroxy)phosphoryl)oxy)oxidophosphoryl)oxy)methyl)-3,4-dihydroxytetrahydrofuran-2-yl)-3-carbamoylpyridin-1-ium monosodium salt xhydrate
- Catalog No. :
- ACKWHT246
- CAS No. :
- 698999-85-8
- Molecular Formula :
- C21H30N7NaO18P3+
- Molecular Weight :
- 784.41
IUPAC Name:1-((2R,3R,4S,5R)-5-((((((((2R,3R,4R,5R)-5-(6-Amino-9H-purin-9-yl)-3-hydroxy-4-(phosphonooxy)tetrahydrofuran-2-yl)methoxy)(hydroxy)phosphoryl)oxy)oxidophosphoryl)oxy)methyl)-3,4-dihydroxytetrahydrofuran-2-yl)-3-carbamoylpyridin-1-ium monosodium salt xhydrate
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Product Information
| Product Name | 1-((2R,3R,4S,5R)-5-((((((((2R,3R,4R,5R)-5-(6-Amino-9H-purin-9-yl)-3-hydroxy-4-(phosphonooxy)tetrahydrofuran-2-yl)methoxy)(hydroxy)phosphoryl)oxy)oxidophosphoryl)oxy)methyl)-3,4-dihydroxytetrahydrofuran-2-yl)-3-carbamoylpyridin-1-ium monosodium salt xhydrate |
|---|---|
| IUPAC Name | 1-((2R,3R,4S,5R)-5-((((((((2R,3R,4R,5R)-5-(6-Amino-9H-purin-9-yl)-3-hydroxy-4-(phosphonooxy)tetrahydrofuran-2-yl)methoxy)(hydroxy)phosphoryl)oxy)oxidophosphoryl)oxy)methyl)-3,4-dihydroxytetrahydrofuran-2-yl)-3-carbamoylpyridin-1-ium monosodium salt xhydrate |
| MDL No. | MFCD00150480 |
| Molecular Formula | C21H30N7NaO18P3+ |
| Molecular Weight | 784.41 |
| SMILES | [H][C@@]1(N2C=NC3=C(N)N=CN=C23)O[C@H](COP(O)(OP([O-])(OC[C@@H]4[C@@H](O)[C@@H](O)[C@]([N+]5=CC=CC(C(N)=O)=C5)(O4)[H])=O)=O)[C@@H](O)[C@H]1OP(O)(O)=O.[Na+].O |
| InChI Key | CYQLUFJYVTUUFN-WUEGHLCSSA-N |
| Synonym | β-Nicotinamide adenine dinucleotide phosphate sodium salt hydrate | beta-Nicotinamide adenine dinucleotide phosphate sodium salt hydrate | Triphosphopyridine nucleotide sodium salt hydrate | β-NADP |
| CAS No. | 698999-85-8 |
| PubChem CID | 90475149 |
Safety Data
- Pictogram
- Signal Word
- Warning
- Hazard Statement(s)
- H319
- Precautionary Statement(s)
- P280-P305+P351+P338-P337+P313
Synthetic Route by SureRoute
2. ACKWHT246 Molecular Building Block Synthetic Route
Sodium (2R,3R,4R,5R)-2-(6-amino-9H-purin-9-yl)-5-((((((((2R,3S,4R,5R)-5-(3-carbamoylpyridin-1-ium-1-yl)-3,4-dihydroxytetrahydrofuran-2-yl)methoxy)oxidophosphoryl)oxy)(hydroxy)phosphoryl)oxy)methyl)-4-hydroxytetrahydrofuran-3-yl hydrogen phosphate
1-((2R,3R,4S,5R)-5-((((((((2R,3R,4R,5R)-5-(6-Amino-9H-purin-9-yl)-3-hydroxy-4-(phosphonooxy)tetrahydrofuran-2-yl)methoxy)(hydroxy)phosphoryl)oxy)oxidophosphoryl)oxy)methyl)-3,4-dihydroxytetrahydrofuran-2-yl)-3-carbamoylpyridin-1-ium
1-((2R,3R,4S,5R)-5-((((((((2R,3R,4R,5R)-5-(6-Amino-9H-purin-9-yl)-3-hydroxy-4-(phosphonooxy)tetrahydrofuran-2-yl)methoxy)(hydroxy)phosphoryl)oxy)oxidophosphoryl)oxy)methyl)-3,4-dihydroxytetrahydrofuran-2-yl)-3-carbamoylpyridin-1-ium, disodium salt
