4-Demethoxyadriamycin

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Properties Simple | Detailed

Formula C26H27NO10
IUPAC Name (7s,9s)-7-[(2r,4s,5s,6s)-4-amino-5-hydroxy-6-methyloxan-2-yl]oxy-6,9,11-trihydroxy-9-(2-hydroxyacetyl)-8,10-dihydro-7h-tetracene-5,12-dione
Molecular Mass 513.493 g·mol−1
Heat of Formation -1628.4 ± 16.7 kJ·mol−1
Dipole Moment 2.89 ± 1.08 D
Volume 554.6 Å 3
Surface Area 452.85 Å 2
HOMO Energy -9.13 ± 0.55 eV
LUMO Energy 1.06 ± eV
Point Group Symmetry C1
Synonyms
  • (7s,9s)-7-[(2r,4s,5s,6s)-4-amino-5-hydroxy-6-methyl-oxan-2-yl]oxy-6,9,11-trihydroxy-9-(2-hydroxyethanoyl)-8,10-dihydro-7h-tetracene-5,12-dione
  • (7s,9s)-7-[(2r,4s,5s,6s)-4-amino-5-hydroxy-6-methyl-tetrahydropyran-2-yl]oxy-6,9,11-trihydroxy-9-(2-hydroxyacetyl)-8,10-dihydro-7h-tetracene-5,12-dione
  • (7s,9s)-7-[(2r,4s,5s,6s)-4-amino-5-hydroxy-6-methyl-tetrahydropyran-2-yl]oxy-9-glycoloyl-6,9,11-trihydroxy-8,10-dihydro-7h-tetracene-5,12-quinone
  • (7s,9s)-7-[[(2r,4s,5s,6s)-4-amino-5-hydroxy-6-methyl-2-tetrahydropyranyl]oxy]-6,9,11-trihydroxy-9-(2-hydroxy-1-oxoethyl)-8,10-dihydro-7h-tetracene-5,12-dione
  • 4-dma
  • 5,12-naphthacenedione, 7-[(2,6-dideoxy-.alpha.-l-lyxo-hexopyranosyl)oxy]-7,8,9,10-tetrahydro-6,9,11-trihydroxy-9-(hydroxyacetyl)-, (7s,9s)-
  • 64363-63-9 (hydrochloride)
InChIKey XVXGYZFARCOVHS-BINOZUKVSA-N
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