Products 156724-91-3

CAS 156724-91-3 appears in our catalog under these names: Benzamide Adenine Dinucleotide, Benzamide adenine dinucleotide triethylamine, β-Benzamide adenine dinucleotide. Offered by: TRC, Biosynth, MedChemExpress. Available pack sizes: 2,5mg, 0,25mg, 0,5mg, Get quote.

Benzamide Adenine Dinucleotide
TRC
  • size: 2,5mg
  • Variants: 1
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Benzamide adenine dinucleotide triethylamine
Biosynth
  • size: 0,25mg, 0,5mg
  • Variants: 2
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β-Benzamide adenine dinucleotide
MedChemExpress
  • size: Get quote
  • Variants: 1
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Structural formula: {0} (CAS {1})

[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] [(2R,3S,4R,5S)-5-(3-carbamoylphenyl)-3,4-dihydroxyoxolan-2-yl]methyl hydrogen phosphate (CAS 156724-91-3) is a chemical compound with the molecular formula C22H28N6O14P2 and a molecular weight of 662.4 g/mol. IUPAC name: [[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] [(2R,3S,4R,5S)-5-(3-carbamoylphenyl)-3,4-dihydroxyoxolan-2-yl]methyl hydrogen phosphate. InChIKey: HNKKJJHKTPALEK-RACQCECLSA-N.

Identity
Molecular formulaC22H28N6O14P2
Molecular weight662.4 g/mol
IUPAC name[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] [(2R,3S,4R,5S)-5-(3-carbamoylphenyl)-3,4-dihydroxyoxolan-2-yl]methyl hydrogen phosphate
InChIKeyHNKKJJHKTPALEK-RACQCECLSA-N
SMILESC1=CC(=CC(=C1)C(=O)N)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)OP(=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)N4C=NC5=C(N=CN=C54)N)O)O)O)O

Computed by PubChem (NCBI)

Synonyms: Benzamide adenine nucleotide, Benzamide Adenine Dinucleotide, benzamideadeninedinucleoside, DQV, orb2646168
Isomers (same molecular formula)
[(2R,3S,4R,5R)-5-(3-acetylpyridin-1-ium-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl [[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphate C22H28N6O14P2