4'-Deoxyadriamycin

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Properties Simple | Detailed

Formula C21H29NO10
IUPAC Name (7s,9s)-7-[(2s,4r,6s)-4-amino-6-methyloxan-2-yl]oxy-6,9,11-trihydroxy-9-(2-hydroxyacetyl)-4-methoxy-8,10-dihydro-7h-tetracene-5,12-dione
Molecular Mass 455.456 g·mol−1
Heat of Formation -1599.2 ± 16.7 kJ·mol−1
Dipole Moment 6.03 ± 1.08 D
Volume 576.65 Å 3
Surface Area 474.65 Å 2
HOMO Energy -8.88 ± 0.55 eV
LUMO Energy 1.25 ± eV
Point Group Symmetry C1
Synonyms
  • (7s,9s)-7-[(2s,4r,6s)-4-amino-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-[(2s,4r,6s)-4-amino-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-[(2s,4r,6s)-4-amino-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-[[(2s,4r,6s)-4-amino-6-methyl-2-tetrahydropyranyl]oxy]-6,9,11-trihydroxy-9-(2-hydroxy-1-oxoethyl)-4-methoxy-8,10-dihydro-7h-tetracene-5,12-dione
InChIKey ITSGNOIFAJAQHJ-BMFNZSJVSA-N
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