Methyl (1R,2S,4S)-2,5,7-Trihydroxy-6,11-Dioxo-2-(2-Oxopropyl)-4-{[2,3,6-Trideoxy-3-(Dimethylamino)-α-L-Lyxo-Hexopyranosyl]Oxy}-1,2,3,4,6,11-Hexahydro-1-Tetracenecarboxylate

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Properties Simple | Detailed

Formula C31H35NO11
IUPAC Name (1r,2s,4s)-2-acetonyl-4-[(2r,4s,5s,6s)-4-(dimethylamino)-5-hydroxy-6-methyl-tetrahydropyran-2-yl]oxy-6,7-diformyl-2,5-dihydroxy-tetralin-1-carboxylate hydrate
Molecular Mass 597.610 g·mol−1
Heat of Formation -1895.8 ± 16.7 kJ·mol−1
Dipole Moment 3.60 ± 1.08 D
Volume 665.24 Å 3
Surface Area 507.36 Å 2
HOMO Energy -8.58 ± 0.55 eV
LUMO Energy 1.01 ± eV
Point Group Symmetry C1
Synonyms
  • (1r,2s,4s)-2-acetonyl-4-[(2r,4s,5s,6s)-4-dimethylamino-5-hydroxy-6-methyl-tetrahydropyran-2-yl]oxy-2,5,7-trihydroxy-6,11-diketo-3,4-dihydro-1h-tetracene-1-carboxylic acid methyl ester
  • (1r,2s,4s)-2-acetonyl-4-[[(2r,4s,5s,6s)-4-dimethylamino-5-hydroxy-6-methyl-2-tetrahydropyranyl]oxy]-2,5,7-trihydroxy-6,11-dioxo-3,4-dihydro-1h-tetracene-1-carboxylic acid methyl ester
  • 1-naphthacenecarboxylic acid, 1,2,3,4,6,11-hexahydro-2,5,7-trihydroxy-6,11-dioxo-2-(2-oxopropyl)-4-((2,3,6-trideoxy-3-(dimethylamino)-alpha-l-lyxo-hexopyranosyl)oxy)-, methyl ester, (1r-(1alpha,2beta,4beta))-
  • 1-naphthacenecarboxylic acid, 1,2,3,4,6,11-hexahydro-6,11-dioxo-2-(2-oxopropyl)-4-((2,3,6-trideoxy-3-(dimethylamino)-alpha-l-lyxo-hexopyranosyl)oxy)-2,5,7-trihydroxy-, methyl ester, (1r-(1-alpha,2-beta,4-beta))-
  • methyl (1r,2s,4s)-2-acetonyl-4-[(2r,4s,5s,6s)-4-dimethylamino-5-hydroxy-6-methyl-tetrahydropyran-2-yl]oxy-2,5,7-trihydroxy-6,11-dioxo-3,4-dihydro-1h-tetracene-1-carboxylate
  • methyl (1r,2s,4s)-4-[(2r,4s,5s,6s)-4-dimethylamino-5-hydroxy-6-methyl-oxan-2-yl]oxy-2,5,7-trihydroxy-6,11-dioxo-2-(2-oxopropyl)-3,4-dihydro-1h-tetracene-1-carboxylate
  • methyl (1r,2s,4s)-4-[(2r,4s,5s,6s)-4-dimethylamino-5-hydroxy-6-methyloxan-2-yl]oxy-2,5,7-trihydroxy-6,11-dioxo-2-(2-oxopropyl)-3,4-dihydro-1h-tetracene-1-carboxylate
  • sulfurmycin d
CAS Number(s)
  • 83753-74-6
InChIKey YPHXBUMJGHZUMJ-UCPUWLPESA-N
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