(1S,3S)-3-Glycoloyl-3,5,12-Trihydroxy-10-Methoxy-6,11-Dioxo-1,2,3,4,6,11-Hexahydro-1-Tetracenyl 3-Ammonio-2,3,6-Trideoxy-α-L-Arabino-Hexopyranoside

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Properties Simple | Detailed

Formula C27H30NO11+
IUPAC Name [(2s,3r,4s,6r)-3-hydroxy-2-methyl-6-[[(1s,3s)-3,5,12-trihydroxy-3-(2-hydroxyacetyl)-10-methoxy-6,11-dioxo-2,4-dihydro-1h-tetracen-1-yl]oxy]tetrahydropyran-4-yl]ammonium
Molecular Mass 544.527 g·mol−1
Heat of Formation 1240.2 ± 16.7 kJ·mol−1
Dipole Moment 2.38 ± 1.08 D
Volume 507.21 Å 3
Surface Area 430.25 Å 2
Point Group Symmetry C1
Synonyms
  • 4'-epidoxorubicin
  • [(2s,3r,4s,6r)-3-hydroxy-2-methyl-6-[[(1s,3s)-3,5,12-trihydroxy-3-(2-hydroxy-1-oxoethyl)-10-methoxy-6,11-dioxo-2,4-dihydro-1h-tetracen-1-yl]oxy]-4-tetrahydropyranyl]ammonium
  • [(2s,3r,4s,6r)-3-hydroxy-2-methyl-6-[[(1s,3s)-3,5,12-trihydroxy-3-(2-hydroxyacetyl)-10-methoxy-6,11-dioxo-2,4-dihydro-1h-tetracen-1-yl]oxy]tetrahydropyran-4-yl]ammonium
  • [(2s,3r,4s,6r)-3-hydroxy-2-methyl-6-[[(1s,3s)-3,5,12-trihydroxy-3-(2-hydroxyethanoyl)-10-methoxy-6,11-dioxo-2,4-dihydro-1h-tetracen-1-yl]oxy]oxan-4-yl]azanium
  • [(2s,3r,4s,6r)-6-[[(1s,3s)-3-glycoloyl-3,5,12-trihydroxy-6,11-diketo-10-methoxy-2,4-dihydro-1h-tetracen-1-yl]oxy]-3-hydroxy-2-methyl-tetrahydropyran-4-yl]ammonium
InChIKey AOJJSUZBOXZQNB-VTZDEGQISA-O
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