(1S,3R,4R)-3-Ethyl-3,4,10,12-Tetrahydroxy-6,11-Dioxo-1,2,3,4,6,11-Hexahydro-1-Tetracenyl 2,3,6-Trideoxy-4-O-{2,6-Dideoxy-4-O-[(2R,6R)-6-Methyl-5-Oxotetrahydro-2H-Pyran-2-Yl]-α-L-Arabino-Hexopyranosyl}-3-(Dimethylamino)-α-L-Lyxo-Hexopyranoside

Molecule SVG Image

Properties Simple | Detailed

Formula C40H51NO14
IUPAC Name (7s,9r,10r)-7-[(2r,4s,5s,6s)-4-(dimethylamino)-5-[(2s,4s,5r,6s)-4-hydroxy-6-methyl-5-[(2r,6r)-6-methyl-5-oxo-tetrahydropyran-2-yl]oxy-tetrahydropyran-2-yl]oxy-6-methyl-tetrahydropyran-2-yl]oxy-9-ethyl-4,6,9,10-tetrahydroxy-8,10-dihydro-7h-tetracene-5,12-dione
Molecular Mass 769.831 g·mol−1
Heat of Formation -2437.8 ± 16.7 kJ·mol−1
Dipole Moment 6.09 ± 1.08 D
Volume 878.32 Å 3
Surface Area 655.62 Å 2
HOMO Energy -8.44 ± 0.55 eV
LUMO Energy -1.97 ± eV
Point Group Symmetry C1
Synonyms
  • (7s,9r,10r)-7-[(2r,4s,5s,6s)-4-dimethylamino-5-[(2s,4s,5r,6s)-4-hydroxy-5-[(2r,6r)-5-keto-6-methyl-tetrahydropyran-2-yl]oxy-6-methyl-tetrahydropyran-2-yl]oxy-6-methyl-tetrahydropyran-2-yl]oxy-9-ethyl-4,6,9,10-tetrahydroxy-8,10-dihydro-7h-tetracene-5,12-quinone
  • (7s,9r,10r)-7-[(2r,4s,5s,6s)-4-dimethylamino-5-[(2s,4s,5r,6s)-4-hydroxy-6-methyl-5-[(2r,6r)-6-methyl-5-oxo-oxan-2-yl]oxy-oxan-2-yl]oxy-6-methyl-oxan-2-yl]oxy-9-ethyl-4,6,9,10-tetrahydroxy-8,10-dihydro-7h-tetracene-5,12-dione
  • (7s,9r,10r)-7-[(2r,4s,5s,6s)-4-dimethylamino-5-[(2s,4s,5r,6s)-4-hydroxy-6-methyl-5-[(2r,6r)-6-methyl-5-oxo-tetrahydropyran-2-yl]oxy-tetrahydropyran-2-yl]oxy-6-methyl-tetrahydropyran-2-yl]oxy-9-ethyl-4,6,9,10-tetrahydroxy-8,10-dihydro-7h-tetracene-5,12-dione
  • (7s,9r,10r)-7-[(2r,4s,5s,6s)-4-dimethylamino-5-[(2s,4s,5r,6s)-4-hydroxy-6-methyl-5-[(2r,6r)-6-methyl-5-oxooxan-2-yl]oxyoxan-2-yl]oxy-6-methyloxan-2-yl]oxy-9-ethyl-4,6,9,10-tetrahydroxy-8,10-dihydro-7h-tetracene-5,12-dione
  • (7s,9r,10r)-7-[[(2r,4s,5s,6s)-4-dimethylamino-5-[[(2s,4s,5r,6s)-4-hydroxy-6-methyl-5-[[(2r,6r)-6-methyl-5-oxo-2-tetrahydropyranyl]oxy]-2-tetrahydropyranyl]oxy]-6-methyl-2-tetrahydropyranyl]oxy]-9-ethyl-4,6,9,10-tetrahydroxy-8,10-dihydro-7h-tetracene-5,12-dione
  • 11-deoxy-beta-rhodomycin
  • dra
InChIKey OQDCVONZQOVIMP-UNQJTBPASA-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