(1R,2R)-2-Ethyl-2,5,7,12-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 (9r,10r)-10-[(2s,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 527.563 g·mol−1
Heat of Formation -1492.2 ± 16.7 kJ·mol−1
Dipole Moment 2.74 ± 1.08 D
Volume 589.24 Å 3
Surface Area 459.34 Å 2
HOMO Energy -8.70 ± 0.55 eV
LUMO Energy -1.54 ± eV
Point Group Symmetry C1
Synonyms
  • (9r,10r)-10-[(2s,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
  • (9r,10r)-10-[(2s,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
  • (9r,10r)-10-[(2s,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
  • (9r,10r)-10-[(2s,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
  • (9r,10r)-10-[[(2s,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
  • 5,12-naphthacenedione, 8-ethyl-7,8,9,10-tetrahydro-1,6,8,11-tetrahydroxy-7-((2,3,6-trideoxy-3-(dimethylamino)-alpha-l-lyxo-hexopyranosyl)oxy)-, (7r-trans)-
  • iremycin
CAS Number(s)
  • 75634-51-4
InChIKey HECQIFUUJRYFRO-VMINLZLMSA-N
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