Doxorubicin

Structure Molecule image
Relationships Total Number of functionally related protein(s) : 4938
Total Number of Articles : 12832
PubChem 31703
Molecular Formula

C27H29NO11

SMILES

C[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

InChI

InChI=1S/C27H29NO11/c1-10-22(31)13(28)6-17(38-10)39-15-8-27(36,16(30)9-29)7-12-19(15)26(35)21-20(24(12)33)23(32)11-4-3-5-14(37-2)18(11)25(21)34/h3-5,10,13,15,17,22,29,31,33,35-36H,6-9,28H2,1-2H3/t10-,13-,15-,17-,22+,27-/m0/s1

synonyms
  • doxorubicin
  • 23214-92-8
  • Adriablastin
Click to show/hide the synonyms
Properties
Property Value
MW 543.5 g/mol
HBD 6
HBA 12
Rotatable Bond Count 5
Exact Mass 543.17406074 g/mol
Monoisotopic Mass 543.17406074 g/mol
Heavy Atom Count 39
Isotope Atom Count 0
Atom Stereo Count 6
Covalent Unit Count 1
Complexity 977
xlogp 1.3
Topological Polar Surface Area 206