(1S,3R,4R)-3-Ethyl-3,4,5,10-Tetrahydroxy-6,11-Dioxo-1,2,3,4,6,11-Hexahydro-1-Tetracenyl 2,3,6-Trideoxy-3-(Dimethylamino)-α-L-Lyxo-Hexopyranoside

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Properties Simple | Detailed

Formula C28H33NO9
IUPAC Name (7s,9r,10r)-7-[(2r,4s,5s,6s)-4-dimethylamino-5-hydroxy-6-methyloxan-2-yl]oxy-9-ethyl-4,9,10,11-tetrahydroxy-8,10-dihydro-7h-tetracene-5,12-dione
Molecular Mass 527.563 g·mol−1
Heat of Formation -1475.1 ± 16.7 kJ·mol−1
Dipole Moment 3.95 ± 1.08 D
Volume 596.86 Å 3
Surface Area 479.4 Å 2
HOMO Energy -9.14 ± 0.55 eV
LUMO Energy 1.29 ± eV
Point Group Symmetry C1
Synonyms
  • (7s,9r,10r)-7-[(2r,4s,5s,6s)-4-dimethylamino-5-hydroxy-6-methyl-oxan-2-yl]oxy-9-ethyl-4,9,10,11-tetrahydroxy-8,10-dihydro-7h-tetracene-5,12-dione
  • (7s,9r,10r)-7-[(2r,4s,5s,6s)-4-dimethylamino-5-hydroxy-6-methyl-tetrahydropyran-2-yl]oxy-9-ethyl-4,9,10,11-tetrahydroxy-8,10-dihydro-7h-tetracene-5,12-dione
  • (7s,9r,10r)-7-[(2r,4s,5s,6s)-4-dimethylamino-5-hydroxy-6-methyl-tetrahydropyran-2-yl]oxy-9-ethyl-4,9,10,11-tetrahydroxy-8,10-dihydro-7h-tetracene-5,12-quinone
  • (7s,9r,10r)-7-[[(2r,4s,5s,6s)-4-dimethylamino-5-hydroxy-6-methyl-2-tetrahydropyranyl]oxy]-9-ethyl-4,9,10,11-tetrahydroxy-8,10-dihydro-7h-tetracene-5,12-dione
InChIKey ORPXAKRJDMYLPY-SONOWFOZSA-N
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