Pinacolone-d9

cas: 42983-09-5 — see every product listed under this CAS number, including other names

Pinacolone-d9 (CAS 42983-09-5) is a chemical reagent available from Chemat. Available pack sizes: 1mg, 2,5mg, 5mg. Offered by: TRC.

brandTRC
catalog numberTRC-P457802-1MG
cas42983-09-5
size1mg
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Structural formula: {0} (CAS {1})

N-[(2S,5R)-2-[(3R,6S)-5-acetamido-4-hydroxy-2-(hydroxymethyl)-6-(4-methyl-2-oxochromen-7-yl)oxyoxan-3-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide (CAS 42983-09-5) is a chemical compound with the molecular formula C26H34N2O13 and a molecular weight of 582.6 g/mol. IUPAC name: N-[(2S,5R)-2-[(3R,6S)-5-acetamido-4-hydroxy-2-(hydroxymethyl)-6-(4-methyl-2-oxochromen-7-yl)oxyoxan-3-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide. InChIKey: UPSFMJHZUCSEHU-QOOHJDRISA-N.

Identity
Molecular formulaC26H34N2O13
Molecular weight582.6 g/mol
IUPAC nameN-[(2S,5R)-2-[(3R,6S)-5-acetamido-4-hydroxy-2-(hydroxymethyl)-6-(4-methyl-2-oxochromen-7-yl)oxyoxan-3-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide
InChIKeyUPSFMJHZUCSEHU-QOOHJDRISA-N
SMILESCC1=CC(=O)OC2=C1C=CC(=C2)O[C@H]3C(C([C@H](C(O3)CO)O[C@H]4C(C([C@H](C(O4)CO)O)O)NC(=O)C)O)NC(=O)C

Computed by PubChem (NCBI)

Synonyms: Pinacolone-d9, 3,3-Di(methyl-d3)-2-butanone-4,4,4-d3
Related forms of this compound
N-[(2S,3R,4R,5S,6R)-2-[(2R,3S,4R,5R,6S)-5-acetamido-4-hydroxy-2-(hydroxymethyl)-6-(4-methyl-2-oxochromen-7-yl)oxyoxan-3-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide C26H34N2O13