Daunorubicin

Daunorubicin bmse001342 - Data

Daunorubicin synonyms

Wikipedia:

Graphical representations:

Daunorubicin

View large 3D structure

Molecular Formula: C27H29NO10

Natural Isotopic Abundance Mass: 527.51986

Mono-Isotopic Molecular Masses:

  • C12N14: 527.179146133
  • C13N14: 554.269726759
  • C12N15: 528.176181026
  • C13N15: 555.266761652

InChI string: InChI=1S/C27H29NO10/c1-10-22(30)14(28)7-17(37-10)38-16-9-27(35,11(2)29)8-13-19(16)26(34)21-20(24(13)32)23(31)12-5-4-6-15(36-3)18(12)25(21)33/h4-6,10,14,16-17,22,30,32,34-35H,7-9,28H2,1-3H3/t10-,14-,16-,17-,22+,27-/m0/s1

IUPAC: (7S,9S)-9-acetyl-7-[(2R,4S,5S,6S)-4-amino-5-hydroxy-6-methyloxan-2-yl]oxy-6,9,11-trihydroxy-4-methoxy-8,10-dihydro-7H-tetracene-5,12-dione

BMRB Ligand Expo: DM1
PubChem Compound (CID): 30323
NSC:

Reference data were obtained primarily from the PubChem database.

Three dimensional molecular rendering uses Jmol.

InChI string and atom numbering calculated using ALATIS (Hesam Dashti, William M. Westler, John L. Markley, Hamid R. Eghbalnia, "Unique identifiers for small molecules enable rigorous labeling of their atoms", Scientific Data 4, Article number: 170073 (2017), doi:10.1038/sdata.2017.73, https://www.nature.com/articles/sdata201773)