(1S,3S)-3-Acetyl-3,5,12-Trihydroxy-6,11-Dioxo-1,2,3,4,6,11-Hexahydro-1-Tetracenyl 3-Amino-2,3,6-Trideoxy-α-L-Lyxo-Hexopyranoside

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Properties Simple | Detailed

Formula C26H27NO9
IUPAC Name (5s,7s)-7-acetyl-5-[(2r,4s,5s,6s)-4-amino-5-hydroxy-6-methyl-tetrahydropyran-2-yl]oxy-7,9,10-trihydroxy-3-methyl-6,8-dihydro-5h-anthracene-1,4-dione
Molecular Mass 497.494 g·mol−1
Heat of Formation -1469.3 ± 16.7 kJ·mol−1
Dipole Moment 1.23 ± 1.08 D
Volume 548.77 Å 3
Surface Area 439.1 Å 2
HOMO Energy -9.04 ± 0.55 eV
LUMO Energy 1.15 ± eV
Point Group Symmetry C1
Synonyms
  • (1s,3s)-3-acetyl-3,5,12-trihydroxy-6,11-dioxo-1,2,3,4,6,11-hexahydronaphthacen-1-yl 3-amino-2,3,6-trideoxy-alpha-l-lyxo-hexopyranoside
  • (1s,3s)-3-acetyl-3,5,12-trihydroxy-6,11-dioxo-1,2,3,4,6,11-hexahydrotetracen-1-yl 3-amino-2,3,6-trideoxy-alpha-l-lyxo-hexopyranoside
  • (7s,9s)-7-[(2r,4s,5s,6s)-4-amino-5-hydroxy-6-methyl-oxan-2-yl]oxy-9-ethanoyl-6,9,11-trihydroxy-8,10-dihydro-7h-tetracene-5,12-dione
  • (7s,9s)-9-acetyl-7-[(2r,4s,5s,6s)-4-amino-5-hydroxy-6-methyl-tetrahydropyran-2-yl]oxy-6,9,11-trihydroxy-8,10-dihydro-7h-tetracene-5,12-dione
  • (7s,9s)-9-acetyl-7-[(2r,4s,5s,6s)-4-amino-5-hydroxy-6-methyl-tetrahydropyran-2-yl]oxy-6,9,11-trihydroxy-8,10-dihydro-7h-tetracene-5,12-quinone
  • (7s,9s)-9-acetyl-7-[(2r,4s,5s,6s)-4-amino-5-hydroxy-6-methyloxan-2-yl]oxy-6,9,11-trihydroxy-8,10-dihydro-7h-tetracene-5,12-dione
  • (7s,9s)-9-acetyl-7-[[(2r,4s,5s,6s)-4-amino-5-hydroxy-6-methyl-2-tetrahydropyranyl]oxy]-6,9,11-trihydroxy-8,10-dihydro-7h-tetracene-5,12-dione
  • (7s-cis)-9-acetyl-7-[(3-amino-2,3,6-trideoxy-alpha-l-lyxo-hexopyranosyl)oxy]-7,8,9,10-tetrahydro-6,9,11-trihydroxy-5,12-naphthacenedione
  • 4-demethoxydaunomycin
  • 4-demethoxydaunorubicin
  • 4-dmd
  • 5,12-naphthacenedione, 7,8,9,10-tetrahydro-9-acetyl-7-((3-amino-2,3,6-trideoxy-.alpha.-l-lyxo-hexopyranosyl)oxy)-6,9,11-trihydroxy-, (7s-cis)-
  • 5,12-naphthacenedione, 7,8,9,10-tetrahydro-9-acetyl-7-((3-amino-2,3,6-trideoxy-alpha-l-lyxo-hexopyranosyl)oxy)-6,9,11-trihydroxy-, (7s-cis)-
  • 5,12-naphthacenedione, 9-acetyl-7-((3-amino-2,3,6-trideoxy-alpha-l-lyxo-hexopyranosyl)oxy)-7,8,9,10-tetrahydro-6,9,11-trihydroxy-, (7s-cis)-
  • 57852-57-0 (hydrochloride)
  • daunomycin, 4-demethoxy-
  • dm5
  • dmdr
  • imi-30
InChIKey XDXDZDZNSLXDNA-TZNDIEGXSA-N
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