3-acetyl-1-((2R,3R,4S,5R)-5-((((((((2R,3S,4R,5R)-3,4-dihydroxy-5-(6-oxo-1,6-dihydro-9H-purin-9-yl)tetrahydrofuran-2-yl)methoxy)(hydroxy)phosphoryl)oxy)oxidophosphoryl)oxy)methyl)-3,4-dihydroxytetrahydrofuran-2-yl)pyridin-1-ium

Catalog No. :: ACWBPK167
CAS No. :: 4002-09-9
Molecular Formula :: C22H27N5O15P2
Molecular Weight :: 663.43

IUPAC Name:3-acetyl-1-((2R,3R,4S,5R)-5-((((((((2R,3S,4R,5R)-3,4-dihydroxy-5-(6-oxo-1,6-dihydro-9H-purin-9-yl)tetrahydrofuran-2-yl)methoxy)(hydroxy)phosphoryl)oxy)oxidophosphoryl)oxy)methyl)-3,4-dihydroxytetrahydrofuran-2-yl)pyridin-1-ium

3-acetyl-1-((2R,3R,4S,5R)-5-((((((((2R,3S,4R,5R)-3,4-dihydroxy-5-(6-oxo-1,6-dihydro-9H-purin-9-yl)tetrahydrofuran-2-yl)methoxy)(hydroxy)phosphoryl)oxy)oxidophosphoryl)oxy)methyl)-3,4-dihydroxytetrahydrofuran-2-yl)pyridin-1-ium structure diagram

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Product Information

Product Name	3-acetyl-1-((2R,3R,4S,5R)-5-((((((((2R,3S,4R,5R)-3,4-dihydroxy-5-(6-oxo-1,6-dihydro-9H-purin-9-yl)tetrahydrofuran-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)-3,4-dihydroxy-5-(6-oxo-1,6-dihydro-9H-purin-9-yl)tetrahydrofuran-2-yl)methoxy)(hydroxy)phosphoryl)oxy)oxidophosphoryl)oxy)methyl)-3,4-dihydroxytetrahydrofuran-2-yl)pyridin-1-ium
Molecular Formula	C22H27N5O15P2
Molecular Weight	663.43
SMILES	CC(=O)C1=C[N+]([C@@H]2O[C@H](COP(=O)([O-])OP(=O)(O)OC[C@H]3O[C@@H](N4C=NC5=C4N=CNC5=O)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)=CC=C1
InChI Key	OFZRVBGRUHGJOH-RBEMOOQDSA-N
CAS No.	4002-09-9

Synthetic Route by SureRoute

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ACWBPK1674002-09-9

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ACWBPK1674002-09-9

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3-acetyl-1-((2R,3R,4S,5R)-5-((((((((2R,3S,4R,5R)-3,4-dihydroxy-5-(6-oxo-1,6-dihydro-9H-purin-9-yl)tetrahydrofuran-2-yl)methoxy)(hydroxy)phosphoryl)oxy)oxidophosphoryl)oxy)methyl)-3,4-dihydroxytetrahydrofuran-2-yl)pyridin-1-ium

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Synthetic Route by SureRoute

1. ACWBPK167 Molecular Building Block Synthetic Route

2. ACWBPK167 Molecular Building Block Synthetic Route

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3-acetyl-1-((2R,3R,4S,5R)-5-((((((((2R,3S,4R,5R)-3,4-dihydroxy-5-(6-oxo-1,6-dihydro-9H-purin-9-yl)tetrahydrofuran-2-yl)methoxy)(hydroxy)phosphoryl)oxy)oxidophosphoryl)oxy)methyl)-3,4-dihydroxytetrahydrofuran-2-yl)pyridin-1-ium

Product Information

Synthetic Route by SureRoute

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1-((2R,3R,4S,5R)-5-((((((((2R,3S,4R,5R)-5-(2-amino-6-oxo-3,6-dihydro-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

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

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

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