(1S,3S)-3-Acetyl-3,5,12-Trihydroxy-10-Methoxy-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 C22H31NO10
IUPAC Name (1s,3s)-3-acetyl-1-[(2r,4s,5s,6s)-4-(dimethylamino)-5-hydroxy-6-methyl-tetrahydropyran-2-yl]oxy-3,5,8-trihydroxy-tetralin-6,7-dicarbaldehyde hydrate
Molecular Mass 469.482 g·mol−1
Heat of Formation -1624.0 ± 16.7 kJ·mol−1
Dipole Moment 2.00 ± 1.08 D
Volume 625.85 Å 3
Surface Area 498.71 Å 2
HOMO Energy -8.53 ± 0.55 eV
LUMO Energy 1.29 ± eV
Point Group Symmetry C1
Synonyms
  • (7s,9s)-7-[(2r,4s,5s,6s)-4-dimethylamino-5-hydroxy-6-methyl-oxan-2-yl]oxy-9-ethanoyl-6,9,11-trihydroxy-4-methoxy-8,10-dihydro-7h-tetracene-5,12-dione
  • (7s,9s)-9-acetyl-7-[(2r,4s,5s,6s)-4-dimethylamino-5-hydroxy-6-methyl-tetrahydropyran-2-yl]oxy-6,9,11-trihydroxy-4-methoxy-8,10-dihydro-7h-tetracene-5,12-dione
  • (7s,9s)-9-acetyl-7-[(2r,4s,5s,6s)-4-dimethylamino-5-hydroxy-6-methyl-tetrahydropyran-2-yl]oxy-6,9,11-trihydroxy-4-methoxy-8,10-dihydro-7h-tetracene-5,12-quinone
  • (7s,9s)-9-acetyl-7-[(2r,4s,5s,6s)-4-dimethylamino-5-hydroxy-6-methyloxan-2-yl]oxy-6,9,11-trihydroxy-4-methoxy-8,10-dihydro-7h-tetracene-5,12-dione
  • (7s,9s)-9-acetyl-7-[[(2r,4s,5s,6s)-4-dimethylamino-5-hydroxy-6-methyl-2-tetrahydropyranyl]oxy]-6,9,11-trihydroxy-4-methoxy-8,10-dihydro-7h-tetracene-5,12-dione
  • 5,12-naphthacenedione, 7,8,9,10-tetrahydro-8-acetyl-1-methoxy-10-((2,3,6-trideoxy-3-(dimethylamino)-.alpha.-l-lyxo-hexopyranosyl)oxy)-6,8,11-trihydroxy-, (8s-cis)-
  • 70095-84-0 (hydrochloride)
InChIKey MNZPHZWBCGOICS-ORRXYWJWSA-N
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