Account Sodium (2R,3R,4R,5R)-2-(6-amino-9H-purin-9-yl)-5-((((((2-(1-(3-carbamoylpyridin-1-ium-1-yl)-2-oxoethoxy)-3-oxopropoxy)oxidophosphoryl)oxy)oxidophosphoryl)oxy)methyl)-4-hydroxytetrahydrofuran-3-yl phosphate
- Catalog No. :
- ACONWL389
- CAS No. :
- 102281-43-6
- Molecular Formula :
- C21H23N7Na3O17P3
- Molecular Weight :
- 807.34
IUPAC Name:sodium (2R,3R,4R,5R)-2-(6-amino-9H-purin-9-yl)-5-((((((2-(1-(3-carbamoylpyridin-1-ium-1-yl)-2-oxoethoxy)-3-oxopropoxy)oxidophosphoryl)oxy)oxidophosphoryl)oxy)methyl)-4-hydroxytetrahydrofuran-3-yl phosphate
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Product Information
| Product Name | Sodium (2R,3R,4R,5R)-2-(6-amino-9H-purin-9-yl)-5-((((((2-(1-(3-carbamoylpyridin-1-ium-1-yl)-2-oxoethoxy)-3-oxopropoxy)oxidophosphoryl)oxy)oxidophosphoryl)oxy)methyl)-4-hydroxytetrahydrofuran-3-yl phosphate |
|---|---|
| IUPAC Name | sodium (2R,3R,4R,5R)-2-(6-amino-9H-purin-9-yl)-5-((((((2-(1-(3-carbamoylpyridin-1-ium-1-yl)-2-oxoethoxy)-3-oxopropoxy)oxidophosphoryl)oxy)oxidophosphoryl)oxy)methyl)-4-hydroxytetrahydrofuran-3-yl phosphate |
| Molecular Formula | C21H23N7Na3O17P3 |
| Molecular Weight | 807.34 |
| SMILES | NC(C1=C[N+](C(OC(C=O)COP([O-])(OP([O-])(OC[C@H]2O[C@@H](N3C=NC4=C(N)N=CN=C34)[C@H](OP([O-])([O-])=O)[C@@H]2O)=O)=O)C=O)=CC=C1)=O.[Na+].[Na+].[Na+] |
| InChI Key | CDNBJMHAUDVHRP-YTUAODRRSA-K |
| Synonym | BETA-NICOTINAMIDE ADENINE DINUCLEOTIDE PHOSPHATE, PERIODATE OXIDIZED SODIUM SALT;BETA-NADP-DIALDEHYDE SODIUM SALT;B-NICOTINAMIDE ADENINE DINUCLEOTIDE*PHOS PHATE, PERI;β-nadp-dialdehyde;β-nicotinamide adenine dinucleotide phosphate, periodate oxidized sodium salt;β-Nadp-dialdehyde |
| CAS No. | 102281-43-6 |
Synthetic Route by SureRoute
2. ACONWL389 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