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

Molecule SVG Image

Properties Simple | Detailed

Formula C19H43NO13
IUPAC Name (1r,2r,4s,5z)-4-[(2r,4s,5s,6s)-4-amino-6-methyl-5-(oxidomethoxy)tetrahydropyran-2-yl]oxy-2-ethyl-2-hydroxy-5-(1-hydroxyethylidene)-6-methyl-cyclohexanecarboxylate pentahydrate
Molecular Mass 493.544 g·mol−1
Heat of Formation -2324.5 ± 16.7 kJ·mol−1
Dipole Moment 4.43 ± 1.08 D
Volume 792.59 Å 3
Surface Area 588.28 Å 2
HOMO Energy -8.91 ± 0.55 eV
LUMO Energy 1.06 ± eV
Point Group Symmetry C1
Synonyms
  • (1r,2r,4s)-4-[(2r,4s,5s,6s)-5-[(2s,4s,5s,6s)-4,5-dihydroxy-6-methyl-tetrahydropyran-2-yl]oxy-4-dimethylamino-6-methyl-tetrahydropyran-2-yl]oxy-2-ethyl-2,5,7-trihydroxy-6,11-diketo-3,4-dihydro-1h-tetracene-1-carboxylic acid methyl ester
  • (1r,2r,4s)-4-[[(2r,4s,5s,6s)-5-[[(2s,4s,5s,6s)-4,5-dihydroxy-6-methyl-2-tetrahydropyranyl]oxy]-4-dimethylamino-6-methyl-2-tetrahydropyranyl]oxy]-2-ethyl-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-6,11-dioxo-2-ethyl-4-((4-o-(2,6-dideoxy-alpha-l-lyxo-hexopyranosyl)-3-(dimethylamino)-2,3,6-trideoxy-alpha-l-lyxo-hexopyranosyl)oxy)-2,5,7-trihydroxy-, methyl ester (1r-(1-alpha,2-beta,4-beta))-
  • antibiotic ma 144s1
  • ma 144 s1
  • ma144 s1
  • methyl (1r,2r,4s)-4-[(2r,4s,5s,6s)-5-[(2s,4s,5s,6s)-4,5-dihydroxy-6-methyl-oxan-2-yl]oxy-4-dimethylamino-6-methyl-oxan-2-yl]oxy-2-ethyl-2,5,7-trihydroxy-6,11-dioxo-3,4-dihydro-1h-tetracene-1-carboxylate
  • methyl (1r,2r,4s)-4-[(2r,4s,5s,6s)-5-[(2s,4s,5s,6s)-4,5-dihydroxy-6-methyl-tetrahydropyran-2-yl]oxy-4-dimethylamino-6-methyl-tetrahydropyran-2-yl]oxy-2-ethyl-2,5,7-trihydroxy-6,11-dioxo-3,4-dihydro-1h-tetracene-1-carboxylate
  • methyl (1r,2r,4s)-4-[(2r,4s,5s,6s)-5-[(2s,4s,5s,6s)-4,5-dihydroxy-6-methyloxan-2-yl]oxy-4-dimethylamino-6-methyloxan-2-yl]oxy-2-ethyl-2,5,7-trihydroxy-6,11-dioxo-3,4-dihydro-1h-tetracene-1-carboxylate
CAS Number(s)
  • 64431-69-2
InChIKey DNZPQXXGAMXDHH-FCNQEGBTSA-N
QR Code Generate QR Code
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H C O N