(1R,2R,4S)-2-Ethyl-2,4,7,10,12-Pentahydroxy-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 C22H35NO10
IUPAC Name (1r,2r,4s)-1-[(2s,4s,5s,6s)-4-(dimethylamino)-5-hydroxy-6-methyl-tetrahydropyran-2-yl]oxy-2-ethyl-2,4,8-trihydroxy-tetralin-6,7-dicarbaldehyde dihydrate
Molecular Mass 473.514 g·mol−1
Heat of Formation -1735.2 ± 16.7 kJ·mol−1
Dipole Moment 2.46 ± 1.08 D
Volume 602.16 Å 3
Surface Area 478.42 Å 2
HOMO Energy -8.72 ± 0.55 eV
LUMO Energy -2.15 ± eV
Point Group Symmetry C1
Synonyms
  • (7s,9r,10r)-10-[(2s,4s,5s,6s)-4-dimethylamino-5-hydroxy-6-methyl-oxan-2-yl]oxy-9-ethyl-1,4,7,9,11-pentahydroxy-8,10-dihydro-7h-tetracene-5,12-dione
  • (7s,9r,10r)-10-[(2s,4s,5s,6s)-4-dimethylamino-5-hydroxy-6-methyl-tetrahydropyran-2-yl]oxy-9-ethyl-1,4,7,9,11-pentahydroxy-8,10-dihydro-7h-tetracene-5,12-dione
  • (7s,9r,10r)-10-[(2s,4s,5s,6s)-4-dimethylamino-5-hydroxy-6-methyl-tetrahydropyran-2-yl]oxy-9-ethyl-1,4,7,9,11-pentahydroxy-8,10-dihydro-7h-tetracene-5,12-quinone
  • (7s,9r,10r)-10-[(2s,4s,5s,6s)-4-dimethylamino-5-hydroxy-6-methyloxan-2-yl]oxy-9-ethyl-1,4,7,9,11-pentahydroxy-8,10-dihydro-7h-tetracene-5,12-dione
  • (7s,9r,10r)-10-[[(2s,4s,5s,6s)-4-dimethylamino-5-hydroxy-6-methyl-2-tetrahydropyranyl]oxy]-9-ethyl-1,4,7,9,11-pentahydroxy-8,10-dihydro-7h-tetracene-5,12-dione
  • 5,12-naphthacenedione, 8-ethyl-7,8,9,10-tetrahydro-1,4,6,8,10-pentahydroxy-7-((2,3,6-trideoxy-3-(dimethylamino)-alpha-l-lyxo-hexopyranosyl)oxy)-, (7r-(7alpha,8beta,10beta))-
  • alldimycin c
CAS Number(s)
  • 94818-02-7
InChIKey KCTUFQSEBNXSCY-QHRGAOIXSA-N
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