Amrubicin

Molecule SVG Image

Properties Simple | Detailed

Formula C23H27NO9
IUPAC Name (7s,9s)-9-acetyl-9-amino-7-[(2s,4s,5r)-4,5-dihydroxyoxan-2-yl]oxy-6,11-dihydroxy-8,10-dihydro-7h-tetracene-5,12-dione
Molecular Mass 461.462 g·mol−1
Heat of Formation -1396.7 ± 16.7 kJ·mol−1
Dipole Moment 3.65 ± 1.08 D
Volume 524.65 Å 3
Surface Area 429.76 Å 2
HOMO Energy -8.89 ± 0.55 eV
LUMO Energy 1.28 ± eV
Point Group Symmetry C1
Synonyms
  • (7s,9s)-9-acetyl-9-amino-7-[(2s,4s,5r)-4,5-dihydroxytetrahydropyran-2-yl]oxy-6,11-dihydroxy-8,10-dihydro-7h-tetracene-5,12-dione
  • (7s,9s)-9-acetyl-9-amino-7-[(2s,4s,5r)-4,5-dihydroxytetrahydropyran-2-yl]oxy-6,11-dihydroxy-8,10-dihydro-7h-tetracene-5,12-quinone
  • (7s,9s)-9-acetyl-9-amino-7-[[(2s,4s,5r)-4,5-dihydroxy-2-tetrahydropyranyl]oxy]-6,11-dihydroxy-8,10-dihydro-7h-tetracene-5,12-dione
  • (7s,9s)-9-amino-7-[(2s,4s,5r)-4,5-dihydroxyoxan-2-yl]oxy-9-ethanoyl-6,11-dihydroxy-8,10-dihydro-7h-tetracene-5,12-dione
InChIKey VJZITPJGSQKZMX-XDPRQOKASA-N
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