13-deoxydoxorubicin Report issue

Small molecule Experimental
AACT PubChem

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Chemistry

Mol. Mass

529.54

ALogP

0.82

Rule of 5

No

Rule of 3

No
Details
  • SMILES: COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)C[C@@](O)(CCO)C[C@@H]3O[C@H]1C[C@H](N)[C@H](O)[C@H](C)O1
  • InChIKey: RGVRUQHYQSORBY-JIGXQNLBSA-N
    InChI=1S/C27H31NO10/c1-11-22(30)14(28)8-17(37-11)38-16-10-27(35,6-7-29)9-13-19(16)26(34)21-20(24(13)32)23(31)12-4-3-5-15(36-2)18(12)25(21)33/h3-5,11,14,16-17,22,29-30,32,34-35H,6-10,28H2,1-2H3/t11-,14-,16-,17-,22+,27-/m0/s1
  • Chirality: Single Stereoisomer
  • Inorganic: No
  • Polymer: No

Sources

CHEMBL3249110   ChEMBL
13-deoxydoxorubicin

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