(1S,3S)-3-Glycoloyl-3,5,12-Trihydroxy-10-Methoxy-6,11-Dioxo-1,2,3,4,6,11-Hexahydro-1-Tetracenyl 3-(Benzylamino)-2,3,6-Trideoxy-α-L-Lyxo-Hexopyranoside

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Properties Simple | Detailed

Formula C21H29NO11
IUPAC Name (1s,3s)-3,5,8-trihydroxy-3-(2-hydroxyacetyl)-1-[(2r,4s,5s,6s)-5-hydroxy-6-methyl-4-(methylamino)tetrahydropyran-2-yl]oxy-tetralin-6,7-dicarbaldehyde hydrate
Molecular Mass 471.455 g·mol−1
Heat of Formation -1677.2 ± 16.7 kJ·mol−1
Dipole Moment 4.58 ± 1.08 D
Volume 705.21 Å 3
Surface Area 578.7 Å 2
HOMO Energy -8.97 ± 0.55 eV
LUMO Energy 1.17 ± eV
Point Group Symmetry C1
Synonyms
  • (7s,9s)-6,9,11-trihydroxy-7-[[(2r,4s,5s,6s)-5-hydroxy-6-methyl-4-(phenylmethylamino)-2-tetrahydropyranyl]oxy]-9-(2-hydroxy-1-oxoethyl)-4-methoxy-8,10-dihydro-7h-tetracene-5,12-dione
  • (7s,9s)-6,9,11-trihydroxy-9-(2-hydroxyacetyl)-7-[(2r,4s,5s,6s)-5-hydroxy-6-methyl-4-(phenylmethylamino)oxan-2-yl]oxy-4-methoxy-8,10-dihydro-7h-tetracene-5,12-dione
  • (7s,9s)-6,9,11-trihydroxy-9-(2-hydroxyacetyl)-7-[(2r,4s,5s,6s)-5-hydroxy-6-methyl-4-(phenylmethylamino)tetrahydropyran-2-yl]oxy-4-methoxy-8,10-dihydro-7h-tetracene-5,12-dione
  • (7s,9s)-6,9,11-trihydroxy-9-(2-hydroxyethanoyl)-7-[(2r,4s,5s,6s)-5-hydroxy-6-methyl-4-(phenylmethylamino)oxan-2-yl]oxy-4-methoxy-8,10-dihydro-7h-tetracene-5,12-dione
  • (7s,9s)-7-[(2r,4s,5s,6s)-4-(benzylamino)-5-hydroxy-6-methyl-tetrahydropyran-2-yl]oxy-9-glycoloyl-6,9,11-trihydroxy-4-methoxy-8,10-dihydro-7h-tetracene-5,12-quinone
  • 5,12-naphthacenedione, 7,8,9,10-tetrahydro-6,8,11-trihydroxy-8-(hydroxyacetyl)-1-methoxy- -10-((2,3,6-trideoxy-3-((phenylmethyl)amino)-.alpha.-l-lyxo-hexopyranosyl)oxy)-, (8s-cis)-
  • ad288
InChIKey XMCYNHRPENWNFK-LKFFLYECSA-N
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