(1R,2R,4S)-2-Ethyl-2,5,7,12-Tetrahydroxy-6,11-Dioxo-4-{[2,3,6-Trideoxy-3-(Dimethylamino)-α-L-Lyxo-Hexopyranosyl]Oxy}-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 C36H48N2O12
IUPAC Name (7s,9r,10r)-7,10-bis[[(2r,4s,5s,6s)-4-(dimethylamino)-5-hydroxy-6-methyl-tetrahydropyran-2-yl]oxy]-9-ethyl-4,6,9,11-tetrahydroxy-8,10-dihydro-7h-tetracene-5,12-dione
Molecular Mass 700.773 g·mol−1
Heat of Formation -2116.3 ± 16.7 kJ·mol−1
Dipole Moment 2.58 ± 1.08 D
Volume 801.74 Å 3
Surface Area 598.26 Å 2
HOMO Energy -8.60 ± 0.55 eV
LUMO Energy -2.04 ± eV
Point Group Symmetry C1
Synonyms
  • (7s,9r,10r)-7,10-bis[[(2r,4s,5s,6s)-4-dimethylamino-5-hydroxy-6-methyl-2-tetrahydropyranyl]oxy]-9-ethyl-4,6,9,11-tetrahydroxy-8,10-dihydro-7h-tetracene-5,12-dione
  • (7s,9r,10r)-7,10-bis[[(2r,4s,5s,6s)-4-dimethylamino-5-hydroxy-6-methyl-oxan-2-yl]oxy]-9-ethyl-4,6,9,11-tetrahydroxy-8,10-dihydro-7h-tetracene-5,12-dione
  • (7s,9r,10r)-7,10-bis[[(2r,4s,5s,6s)-4-dimethylamino-5-hydroxy-6-methyl-tetrahydropyran-2-yl]oxy]-9-ethyl-4,6,9,11-tetrahydroxy-8,10-dihydro-7h-tetracene-5,12-dione
  • (7s,9r,10r)-7,10-bis[[(2r,4s,5s,6s)-4-dimethylamino-5-hydroxy-6-methyl-tetrahydropyran-2-yl]oxy]-9-ethyl-4,6,9,11-tetrahydroxy-8,10-dihydro-7h-tetracene-5,12-quinone
  • (7s,9r,10r)-7,10-bis[[(2r,4s,5s,6s)-4-dimethylamino-5-hydroxy-6-methyloxan-2-yl]oxy]-9-ethyl-4,6,9,11-tetrahydroxy-8,10-dihydro-7h-tetracene-5,12-dione
InChIKey NWPIUETWDSWOKV-ZUOHIMJMSA-N
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