Isosorbide mononitrate 3D structure

Isosorbide mononitrate (also called Isosorbide 5-mononitrate, Imdur) has the formula C6H9NO6 and a molar mass of 191.14 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
C6H9NO6
Molar mass
191.14 g/mol
PubChem CID
27661
Heavy atoms
13
Category
Common drugs

Explore in 3D Space-filling model PubChem

Identifiers

IUPAC name[(3S,3aR,6R,6aS)-3-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl] nitrate
SMILESC1[C@@H]([C@@H]2[C@H](O1)[C@@H](CO2)O[N+](=O)[O-])O
PubChem CID27661
Other namesIsosorbide 5-mononitrate, Imdur, Monosorbitrate, Isosorbide 5-nitrate, Corangin

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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