Products 104809-38-3

CAS 104809-38-3 appears in our catalog under these names: Deaminodpnsodiumsalt, 95%, Deamino-NAD (sodium). Offered by: Chemat Brand, MedChemExpress. Available pack sizes: on request, Get quote.

Deaminodpnsodiumsalt, 95%
Chemat Brand
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  • Variants: 1
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Deamino-NAD (sodium)
MedChemExpress
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  • Variants: 1
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Structural formula: {0} (CAS {1})

Sodium [(2R,3S,4R,5R)-5-(3-carbamoylpyridin-1-ium-1-yl)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl] [[(2R,3S,4R,5R)-3,4-dihydroxy-5-(6-oxo-1H-purin-9-yl)oxolan-2-yl]methoxy-oxidophosphoryl] phosphate (CAS 104809-38-3) is a chemical compound with the molecular formula C21H25N6NaO15P2 and a molecular weight of 686.4 g/mol. IUPAC name: sodium [(2R,3S,4R,5R)-5-(3-carbamoylpyridin-1-ium-1-yl)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl] [[(2R,3S,4R,5R)-3,4-dihydroxy-5-(6-oxo-1H-purin-9-yl)oxolan-2-yl]methoxy-oxidophosphoryl] phosphate. InChIKey: QNMOYFWBERFQAR-QYZPTAICSA-M.

Identity
Molecular formulaC21H25N6NaO15P2
Molecular weight686.4 g/mol
IUPAC namesodium [(2R,3S,4R,5R)-5-(3-carbamoylpyridin-1-ium-1-yl)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl] [[(2R,3S,4R,5R)-3,4-dihydroxy-5-(6-oxo-1H-purin-9-yl)oxolan-2-yl]methoxy-oxidophosphoryl] phosphate
InChIKeyQNMOYFWBERFQAR-QYZPTAICSA-M
SMILESC1=CC(=C[N+](=C1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO)OP(=O)([O-])OP(=O)([O-])OC[C@@H]3[C@H]([C@H]([C@@H](O3)N4C=NC5=C4N=CNC5=O)O)O)O)C(=O)N.[Na+]

Computed by PubChem (NCBI)

Synonyms: Deamino Dpn sodium salt, Deaminodpnsodiumsalt
Isomers (same molecular formula)
sodium [[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-oxidophosphoryl] [(2R,3S,4R,5R)-5-(3-carboxypyridin-1-ium-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl phosphate C21H25N6NaO15P2