AN 204

Structure Molecule image
Relationships Total Number of functionally related protein(s) : 8
Total Number of Articles : 34
PubChem 119196
Molecular Formula

C31H33NO11

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)N6CCC=C6)O

InChI

InChI=1S/C31H33NO11/c1-14-26(35)17(32-8-3-4-9-32)10-21(42-14)43-19-12-31(40,20(34)13-33)11-16-23(19)30(39)25-24(28(16)37)27(36)15-6-5-7-18(41-2)22(15)29(25)38/h3,5-8,14,17,19,21,26,33,35,37,39-40H,4,9-13H2,1-2H3/t14-,17-,19-,21-,26+,31-/m0/s1

synonyms
  • 2-Pyrrolino-dox
  • 175795-76-3
  • 2-Pyrrolinodoxorubicin
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Properties
Property Value
MW 595.6 g/mol
HBD 5
HBA 12
Rotatable Bond Count 6
Exact Mass 595.20536087 g/mol
Monoisotopic Mass 595.20536087 g/mol
Heavy Atom Count 43
Isotope Atom Count 0
Atom Stereo Count 6
Covalent Unit Count 1
Complexity 1130
xlogp 2.9
Topological Polar Surface Area 183