Products 1093268-63-3

CAS 1093268-63-3 is the registry number for β-S-ARCA. Offered by: MedChemExpress. Available pack sizes: Get quote.

Structural formula: {0} (CAS {1})

[(2R,3R,4R,5R)-5-(2-amino-7-methyl-6-oxo-1H-purin-9-ium-9-yl)-3-hydroxy-4-methoxyoxolan-2-yl]methyl [[[(2R,3S,4R,5R)-5-(2-amino-6-oxo-1H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxymethyl-hydroxyphosphoryl]oxy-hydroxyphosphinothioyl] phosphate (CAS 1093268-63-3) is a chemical compound with the molecular formula C23H33N10O17P3S and a molecular weight of 846.6 g/mol. IUPAC name: [(2R,3R,4R,5R)-5-(2-amino-7-methyl-6-oxo-1H-purin-9-ium-9-yl)-3-hydroxy-4-methoxyoxolan-2-yl]methyl [[[(2R,3S,4R,5R)-5-(2-amino-6-oxo-1H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxymethyl-hydroxyphosphoryl]oxy-hydroxyphosphinothioyl] phosphate. InChIKey: AOPUARCNCLFLMU-LJHODRLGSA-N.

Identity
Molecular formulaC23H33N10O17P3S
Molecular weight846.6 g/mol
IUPAC name[(2R,3R,4R,5R)-5-(2-amino-7-methyl-6-oxo-1H-purin-9-ium-9-yl)-3-hydroxy-4-methoxyoxolan-2-yl]methyl [[[(2R,3S,4R,5R)-5-(2-amino-6-oxo-1H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxymethyl-hydroxyphosphoryl]oxy-hydroxyphosphinothioyl] phosphate
InChIKeyAOPUARCNCLFLMU-LJHODRLGSA-N
SMILESCN1C=[N+](C2=C1C(=O)NC(=N2)N)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)([O-])OP(=S)(O)OP(=O)(COC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=NC6=C5N=C(NC6=O)N)O)O)O)O)OC

Computed by PubChem (NCBI)

Synonyms: beta-S-Arca