Amygdalin 3D structure

Amygdalin (also called D-Amygdalin, R-Amygdalin) has the formula C20H27NO11 and a molar mass of 457.4 g/mol. The model above is PubChem's computed 3D conformer: drag to rotate, scroll to zoom, and use the measurement tools to read bond lengths and angles.

Formula
C20H27NO11
Molar mass
457.4 g/mol
PubChem CID
656516
Heavy atoms
32
Category
Toxins and poisons

Explore in 3D Space-filling model PubChem

Identifiers

IUPAC name(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
SMILESC1=CC=C(C=C1)[C@H](C#N)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O)O)O
PubChem CID656516
Other namesD-Amygdalin, R-Amygdalin, D-Mandelonitrile-beta-D-glucosido-6-beta-D-glucoside, Glucoprunasin, Mandelonitrile beta Gentiobioside

How to read the 3D model

Atoms use the standard CPK colors: carbon gray, hydrogen white, oxygen red, nitrogen blue, sulfur yellow. Switch to Spacefill to see the molecule's overall shape and size, or Stick for a clear view of the bonds. Click two atoms in distance mode to measure a bond length in ångströms.

3D coordinates are PubChem's computed conformer, one low-energy shape of the molecule. Flexible molecules can take many other shapes.

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