Doxorubicin 3D structure

Doxorubicin (also called Adriamycin, Adriablastin) has the formula C27H29NO11 and a molar mass of 543.5 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
C27H29NO11
Molar mass
543.5 g/mol
PubChem CID
31703
Heavy atoms
39
Category
Common drugs

Explore in 3D Space-filling model PubChem

Identifiers

IUPAC name(7S,9S)-7-[(2R,4S,5S,6S)-4-amino-5-hydroxy-6-methyloxan-2-yl]oxy-6,9,11-trihydroxy-9-(2-hydroxyacetyl)-4-methoxy-8,10-dihydro-7H-tetracene-5,12-dione
SMILESC[C@H]1[C@H]([C@H](C[C@@H](O1)O[C@H]2C[C@@](CC3=C2C(=C4C(=C3O)C(=O)C5=C(C4=O)C(=CC=C5)OC)O)(C(=O)CO)O)N)O
PubChem CID31703
Other namesAdriamycin, Adriablastin, Doxorubicine, 14-Hydroxydaunomycin, Doxorubicinum

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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