(1S,3S)-3-Acetyl-3,5,12-Trihydroxy-10-Methoxy-6,11-Dioxo-1,2,3,4,6,11-Hexahydro-1-Tetracenyl 3-Amino-2,3,6-Trideoxy-4-O-(2,6-Dideoxy-α-L-Arabino-Hexopyranosyl)-α-L-Lyxo-Hexopyranoside

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Properties Simple | Detailed

Formula C33H39NO13
IUPAC Name (7s,9s)-9-acetyl-7-[(2r,4s,5s,6s)-4-amino-5-[(2s,4s,5r,6s)-4,5-dihydroxy-6-methyl-tetrahydropyran-2-yl]oxy-6-methyl-tetrahydropyran-2-yl]oxy-6,9,11-trihydroxy-4-methoxy-8,10-dihydro-7h-tetracene-5,12-dione
Molecular Mass 657.662 g·mol−1
Heat of Formation -2206.3 ± 16.7 kJ·mol−1
Dipole Moment 3.73 ± 1.08 D
Volume 734.94 Å 3
Surface Area 571.88 Å 2
HOMO Energy -8.82 ± 0.55 eV
LUMO Energy 1.31 ± eV
Point Group Symmetry C1
Synonyms
  • (7s,9s)-7-[(2r,4s,5s,6s)-4-amino-5-[(2s,4s,5r,6s)-4,5-dihydroxy-6-methyl-oxan-2-yl]oxy-6-methyl-oxan-2-yl]oxy-9-ethanoyl-6,9,11-trihydroxy-4-methoxy-8,10-dihydro-7h-tetracene-5,12-dione
  • (7s,9s)-9-acetyl-7-[(2r,4s,5s,6s)-4-amino-5-[(2s,4s,5r,6s)-4,5-dihydroxy-6-methyl-tetrahydropyran-2-yl]oxy-6-methyl-tetrahydropyran-2-yl]oxy-6,9,11-trihydroxy-4-methoxy-8,10-dihydro-7h-tetracene-5,12-dione
  • (7s,9s)-9-acetyl-7-[(2r,4s,5s,6s)-4-amino-5-[(2s,4s,5r,6s)-4,5-dihydroxy-6-methyl-tetrahydropyran-2-yl]oxy-6-methyl-tetrahydropyran-2-yl]oxy-6,9,11-trihydroxy-4-methoxy-8,10-dihydro-7h-tetracene-5,12-quinone
  • (7s,9s)-9-acetyl-7-[(2r,4s,5s,6s)-4-amino-5-[(2s,4s,5r,6s)-4,5-dihydroxy-6-methyloxan-2-yl]oxy-6-methyloxan-2-yl]oxy-6,9,11-trihydroxy-4-methoxy-8,10-dihydro-7h-tetracene-5,12-dione
  • (7s,9s)-9-acetyl-7-[[(2r,4s,5s,6s)-4-amino-5-[[(2s,4s,5r,6s)-4,5-dihydroxy-6-methyl-2-tetrahydropyranyl]oxy]-6-methyl-2-tetrahydropyranyl]oxy]-6,9,11-trihydroxy-4-methoxy-8,10-dihydro-7h-tetracene-5,12-dione
  • 4'-epi-4'-(2-deoxyfucose)daunomycin
  • mar
  • mar70;daunomycin derivative
InChIKey QTGKDZKONUUXOU-NIGIIATCSA-N
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