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-carbamothioylpyridin-1-ium
- Catalog No. :
- ACVTSL063
- CAS No. :
- 19254-05-8
- Molecular Formula :
- C21H28N7O16P3S
- Molecular Weight :
- 759.48
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-carbamothioylpyridin-1-ium
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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-carbamothioylpyridin-1-ium |
|---|---|
| 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-carbamothioylpyridin-1-ium |
| Molecular Formula | C21H28N7O16P3S |
| Molecular Weight | 759.48 |
| SMILES | NC(=S)C1=C[N+]([C@@H]2O[C@H](COP(=O)([O-])OP(=O)(O)OC[C@H]3O[C@@H](N4C=NC5=C(N)N=CN=C54)[C@H](OP(=O)(O)O)[C@@H]3O)[C@@H](O)[C@H]2O)=CC=C1 |
| InChI Key | OJNFDOAQUXJWED-NNYOXOHSSA-N |
| Synonym | THIONICOTINAMIDE-TPN SODIUM SALT;THIONICOTINAMID-TPN SODIUM SALT;THIO-NADP SODIUM;TRIPHOSPHOTHIOPYRIDINE NUCLEOTIDE MONOSODIUM SALT;thionicotinamide adenine dinucleotide phosphate monos. sa;THIONICOTINAMIDE ADENINE DINUCLEOTIDE*PH OSPHATE SOD;Thionicotinamide adenine dinucleotide phosphate;Thionicotinamide TPN |
| CAS No. | 19254-05-8 |
Synthetic Route by SureRoute
2. ACVTSL063 Molecular Building Block Synthetic Route
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)-3-carbamothioylpyridin-1-ium
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