Account 3-Pyridinealdehydeadeninedinucleotide
- Catalog No. :
- ACSXWA528
- CAS No. :
- 86-07-7
- Molecular Formula :
- C21H26N6O14P2
- Molecular Weight :
- 648.41
IUPAC Name:1-((2R,3R,4S,5R)-4-(((((((2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl)methoxy)(hydroxy)phosphoryl)oxy)oxidophosphoryl)oxy)-3-hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl)-3-formylpyridin-1-ium
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Product Information
| Product Name | 3-Pyridinealdehydeadeninedinucleotide |
|---|---|
| IUPAC Name | 1-((2R,3R,4S,5R)-4-(((((((2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl)methoxy)(hydroxy)phosphoryl)oxy)oxidophosphoryl)oxy)-3-hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl)-3-formylpyridin-1-ium |
| Molecular Formula | C21H26N6O14P2 |
| Molecular Weight | 648.41 |
| SMILES | NC1=C2N=CN([C@@H]3O[C@H](COP(=O)(O)OP(=O)([O-])O[C@H]4[C@@H](O)[C@H]([N+]5=CC=CC(C=O)=C5)O[C@@H]4CO)[C@@H](O)[C@H]3O)C2=NC=N1 |
| InChI Key | YIHSNCNMLLVCRS-PLEFRAQWSA-N |
| Synonym | 3-PYRIDINEALDEHYDE ADENINE DINUCLEOTIDE;3-PYRIDINEALDEHYDE-DPN;3-pyridinealdehyde-NAD;NSC 20270 |
| CAS No. | 86-07-7 |
Synthetic Route by SureRoute
2. ACSXWA528 Molecular Building Block Synthetic Route
3'-NadP
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
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-carbamoylpyridin-1-ium