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

Molecule SVG Image

Properties Simple | Detailed

Formula C27H29NO11
IUPAC Name (7s,9s)-7-[(2r,4s,5s,6s)-5-amino-4-hydroxy-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 543.519 g·mol−1
Heat of Formation -1716.3 ± 16.7 kJ·mol−1
Dipole Moment 4.46 ± 1.08 D
Volume 585.87 Å 3
Surface Area 468.11 Å 2
HOMO Energy -9.04 ± 0.55 eV
LUMO Energy -1.59 ± eV
Point Group Symmetry C1
Synonyms
  • (7s,9s)-7-[(2r,4s,5s,6s)-5-amino-4-hydroxy-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)-5-amino-4-hydroxy-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)-5-amino-4-hydroxy-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)-5-amino-4-hydroxy-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)-5-amino-4-hydroxy-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'-amino-3'-hydroxy-doxorubicin
  • 4'-amino-3'-hydroxydoxorubicin
  • 5,12-naphthacenedione, 10-((4-amino-2,4,6-trideoxy-alpha-l-lyxo-hexopyranosyl)oxy)-7,8,9,10-tetrahydro-6,8,11-trihydroxy-8-(hydroxyacetyl)-1-methoxy-, (8s-cis)-
CAS Number(s)
  • 106492-47-1
InChIKey DPWXJJCAARDEAI-TZSSRYMLSA-N
QR Code Generate QR Code
Links PubChem ChemSpider
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H C O N