(1S,3S)-3-Acetyl-3,5,6,11,12-Pentahydroxy-10-Methoxy-1,2,3,4-Tetrahydro-1-Tetracenyl 2,3,6-Trideoxy-3-[(Hydroxymethyl)(2-Methoxyethyl)Amino]-α-L-Lyxo-Hexopyranoside

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Properties Simple | Detailed

Formula C31H39NO12
IUPAC Name 1-[(2s,4s)-2,5,6,11,12-pentahydroxy-4-[(2r,4s,5s,6s)-5-hydroxy-4-[hydroxymethyl(2-methoxyethyl)amino]-6-methyl-tetrahydropyran-2-yl]oxy-7-methoxy-3,4-dihydro-1h-tetracen-2-yl]ethanone
Molecular Mass 617.641 g·mol−1
Heat of Formation -2003.1 ± 16.7 kJ·mol−1
Dipole Moment 3.54 ± 1.08 D
Volume 692.89 Å 3
Surface Area 549.54 Å 2
HOMO Energy -7.58 ± 0.55 eV
LUMO Energy -0.86 ± eV
Point Group Symmetry C1
Synonyms
  • 1-[(2s,4s)-2,5,6,11,12-pentahydroxy-4-[(2r,4s,5s,6s)-5-hydroxy-4-(2-methoxyethyl-methylol-amino)-6-methyl-tetrahydropyran-2-yl]oxy-7-methoxy-3,4-dihydro-1h-tetracen-2-yl]ethanone
  • 1-[(2s,4s)-2,5,6,11,12-pentahydroxy-4-[(2r,4s,5s,6s)-5-hydroxy-4-(hydroxymethyl-(2-methoxyethyl)amino)-6-methyl-oxan-2-yl]oxy-7-methoxy-3,4-dihydro-1h-tetracen-2-yl]ethanone
  • 1-[(2s,4s)-2,5,6,11,12-pentahydroxy-4-[(2r,4s,5s,6s)-5-hydroxy-4-(hydroxymethyl-(2-methoxyethyl)amino)-6-methyl-tetrahydropyran-2-yl]oxy-7-methoxy-3,4-dihydro-1h-tetracen-2-yl]ethanone
  • 1-[(2s,4s)-2,5,6,11,12-pentahydroxy-4-[(2r,4s,5s,6s)-5-hydroxy-4-(hydroxymethyl-(2-methoxyethyl)amino)-6-methyloxan-2-yl]oxy-7-methoxy-3,4-dihydro-1h-tetracen-2-yl]ethanone
  • 1-[(2s,4s)-2,5,6,11,12-pentahydroxy-4-[[(2r,4s,5s,6s)-5-hydroxy-4-(hydroxymethyl-(2-methoxyethyl)amino)-6-methyl-2-tetrahydropyranyl]oxy]-7-methoxy-3,4-dihydro-1h-tetracen-2-yl]ethanone
  • dm9
  • n-hydroxymethyl-n-(2-methoxyethyl)-daunomycin
InChIKey IURHBLXSEHXXFF-XGGCRALDSA-N
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