(8S,10S)-10-{[(2R,4S,5S,6S)-4-Amino-5-Iodo-6-Methyltetrahydro-2H-Pyran-2-Yl]Oxy}-8-Glycoloyl-6,8,11-Trihydroxy-1-Methoxy-7,8,9,10-Tetrahydro-5,12-Tetracenedione

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Properties Simple | Detailed

Formula C27H28INO10
IUPAC Name (7s,9s)-7-[(2r,4s,5s,6s)-4-amino-5-iodo-6-methyl-tetrahydropyran-2-yl]oxy-6,9,11-trihydroxy-9-(2-hydroxyacetyl)-4-methoxy-8,10-dihydro-7h-tetracene-5,12-dione
Molecular Mass 653.416 g·mol−1
Heat of Formation -1452.0 ± 16.7 kJ·mol−1
Dipole Moment 2.93 ± 1.08 D
Volume 611.64 Å 3
Surface Area 486.6 Å 2
HOMO Energy -9.06 ± 0.55 eV
LUMO Energy -1.63 ± eV
Point Group Symmetry C1
Synonyms
  • (7s,9s)-7-[(2r,4s,5s,6s)-4-amino-5-iodo-6-methyl-oxan-2-yl]oxy-6,9,11-trihydroxy-9-(2-hydroxyethanoyl)-4-methoxy-8,10-dihydro-7h-tetracene-5,12-dione
  • (7s,9s)-7-[(2r,4s,5s,6s)-4-amino-5-iodo-6-methyl-tetrahydropyran-2-yl]oxy-6,9,11-trihydroxy-9-(2-hydroxyacetyl)-4-methoxy-8,10-dihydro-7h-tetracene-5,12-dione
  • (7s,9s)-7-[(2r,4s,5s,6s)-4-amino-5-iodo-6-methyl-tetrahydropyran-2-yl]oxy-9-glycoloyl-6,9,11-trihydroxy-4-methoxy-8,10-dihydro-7h-tetracene-5,12-quinone
  • (7s,9s)-7-[(2r,4s,5s,6s)-4-amino-5-iodo-6-methyloxan-2-yl]oxy-6,9,11-trihydroxy-9-(2-hydroxyacetyl)-4-methoxy-8,10-dihydro-7h-tetracene-5,12-dione
  • (7s,9s)-7-[[(2r,4s,5s,6s)-4-amino-5-iodo-6-methyl-2-tetrahydropyranyl]oxy]-6,9,11-trihydroxy-9-(2-hydroxy-1-oxoethyl)-4-methoxy-8,10-dihydro-7h-tetracene-5,12-dione
  • 4'-iodo-4'-deoxydoxorubicin
  • 5,12-naphthacenedione, 10-(((2r,4s,5s,6s)-4-aminotetrahydro-5-iodo-6-methyl-2h-pyran-2-yl)oxy)-7,8,9,10-tetrahydro-6,8,11-trihydroxy-8-(hydroxyacetyl)-1-methoxy-, (8s,10s)-
  • 5,12-naphthacenedione, 7,8,9,10-tetrahydro-10-((4-aminotetrahydro-5-iodo-6-methyl-2h-pyran-2-yl)oxy)-8-(hydroxyacetyl)-1-methoxy-6,8,11-trihydroxy-, (2r-(2-alpha(8s*,10s*),4-beta,5-beta,6-beta))-
  • fce 21954
  • fce-21954
  • i-dox
  • iodo-dox
  • iododoxorubicin
CAS Number(s)
  • 83997-75-5
InChIKey PDQGEKGUTOTUNV-TZSSRYMLSA-N
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