Products 914912-14-4

CAS 914912-14-4 is the registry number for 3-Indolyl-b-D-cellobioside. Offered by: Biosynth. Available pack sizes: 10mg, 5mg.

3-Indolyl-b-D-cellobioside
Biosynth
  • size: 10mg, 5mg
  • Variants: 2
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Structural formula: {0} (CAS {1})

(2S,3R,4S,5S,6R)-2-[(2R,3S,4R,5R,6S)-4,5-dihydroxy-2-(hydroxymethyl)-6-(1H-indol-3-yloxy)oxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol (CAS 914912-14-4) is a chemical compound with the molecular formula C20H27NO11 and a molecular weight of 457.4 g/mol. IUPAC name: (2S,3R,4S,5S,6R)-2-[(2R,3S,4R,5R,6S)-4,5-dihydroxy-2-(hydroxymethyl)-6-(1H-indol-3-yloxy)oxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol. InChIKey: NILXSYFURRCVRZ-NQXZFOFXSA-N.

Identity
Molecular formulaC20H27NO11
Molecular weight457.4 g/mol
IUPAC name(2S,3R,4S,5S,6R)-2-[(2R,3S,4R,5R,6S)-4,5-dihydroxy-2-(hydroxymethyl)-6-(1H-indol-3-yloxy)oxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
InChIKeyNILXSYFURRCVRZ-NQXZFOFXSA-N
SMILESC1=CC=C2C(=C1)C(=CN2)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O)O

Computed by PubChem (NCBI)

Isomers (same molecular formula)
(2R)-2-phenyl-2-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxyacetonitrile C20H27NO11
(2S)-2-phenyl-2-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxyacetonitrile C20H27NO11
2-phenyl-2-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxyacetonitrile C20H27NO11