Products 39698-28-7

CAS 39698-28-7 is the registry number for 4-Nitrophenyl β-rutinoside. Offered by: Biosynth. Available pack sizes: 2mg, 1mg, 5mg, 10mg, 25mg.

4-Nitrophenyl β-rutinoside
Biosynth
  • size: 2mg, 1mg, 5mg, 10mg
  • Variants: 5
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Structural formula: {0} (CAS {1})

(2S,3R,4R,5R,6R)-2-methyl-6-[[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-(4-nitrophenoxy)oxan-2-yl]methoxy]oxane-3,4,5-triol (CAS 39698-28-7) is a chemical compound with the molecular formula C18H25NO12 and a molecular weight of 447.4 g/mol. IUPAC name: (2S,3R,4R,5R,6R)-2-methyl-6-[[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-(4-nitrophenoxy)oxan-2-yl]methoxy]oxane-3,4,5-triol. InChIKey: XKTWNFBGFVEBPL-GYFNHIKNSA-N.

Identity
Molecular formulaC18H25NO12
Molecular weight447.4 g/mol
IUPAC name(2S,3R,4R,5R,6R)-2-methyl-6-[[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-(4-nitrophenoxy)oxan-2-yl]methoxy]oxane-3,4,5-triol
InChIKeyXKTWNFBGFVEBPL-GYFNHIKNSA-N
SMILESC[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)OC[C@@H]2[C@H]([C@@H]([C@H]([C@@H](O2)OC3=CC=C(C=C3)[N+](=O)[O-])O)O)O)O)O)O

Computed by PubChem (NCBI)

Synonyms: 4-Nitrophenyl ?-rutinoside
Isomers (same molecular formula)
[(2R,3S,4R,5S)-3,4,6-triacetyloxy-5-[(2-acetyloxyacetyl)amino]oxan-2-yl]methyl acetate C18H25NO12
(2R,3S,4R,5S,6S)-2-[(2S,3R,4S,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-(4-nitrophenoxy)oxan-3-yl]oxy-6-methyloxane-3,4,5-triol C18H25NO12
(2S,3S,4R,5S,6S)-2-[(2S,3R,4S,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-(4-nitrophenoxy)oxan-3-yl]oxy-6-methyloxane-3,4,5-triol C18H25NO12
(2S,3S,4R,5S,6S)-2-[(2R,3R,4S,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-(4-nitrophenoxy)oxan-3-yl]oxy-6-methyloxane-3,4,5-triol C18H25NO12