Methyl (1R,2R,4S)-2-Ethyl-2,5,7,10-Tetrahydroxy-6,11-Dioxo-4-{[2,3,6-Trideoxy-4-O-(2,6-Dideoxy-α-L-Lyxo-Hexopyranosyl)-3-(Methylamino)-α-L-Lyxo-Hexopyranosyl]Oxy}-1,2,3,4,6,11-Hexahydrotetracene-1-Carboxylate

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Properties Simple | Detailed

Formula C35H43NO14
IUPAC Name (1r,2r,4s,5z)-4-[(2s,4s,5s)-4-amino-5-(oxidomethoxy)tetrahydropyran-2-yl]oxy-2-ethyl-2-hydroxy-5-(1-hydroxyethylidene)-6-methyl-cyclohexanecarboxylate hexahydrate
Molecular Mass 701.714 g·mol−1
Heat of Formation -2537.9 ± 16.7 kJ·mol−1
Dipole Moment 3.73 ± 1.08 D
Volume 782.85 Å 3
Surface Area 591.47 Å 2
HOMO Energy -9.06 ± 0.55 eV
LUMO Energy -2.03 ± 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-6-methyl-4-methylamino-tetrahydropyran-2-yl]oxy-2-ethyl-2,5,7,10-tetrahydroxy-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]-6-methyl-4-methylamino-2-tetrahydropyranyl]oxy]-2-ethyl-2,5,7,10-tetrahydroxy-6,11-dioxo-3,4-dihydro-1h-tetracene-1-carboxylic acid methyl ester
  • 1-naphthacenecarboxylic acid, 2-ethyl-1,2,3,4,6,11-hexahydro-2,5,7,10-tetrahydroxy-6,11-dioxo-4-((2,3,6-trideoxy-4-o-(2,6-dideoxy-alpha-l-lyxo-hexopyranosyl)-3-(methylamino)-alpha-l-lyxo-hexopyranosyl)oxy)-, methyl ester, (1r-(1alpha,2beta,4beta))-
  • methyl (1r,2r,4s)-4-[(2r,4s,5s,6s)-5-[(2s,4s,5s,6s)-4,5-dihydroxy-6-methyl-oxan-2-yl]oxy-6-methyl-4-methylamino-oxan-2-yl]oxy-2-ethyl-2,5,7,10-tetrahydroxy-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-6-methyl-4-methylamino-tetrahydropyran-2-yl]oxy-2-ethyl-2,5,7,10-tetrahydroxy-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-6-methyl-4-methylaminooxan-2-yl]oxy-2-ethyl-2,5,7,10-tetrahydroxy-6,11-dioxo-3,4-dihydro-1h-tetracene-1-carboxylate
  • methyl (1r-(1alpha,2beta,4beta))-2-ethyl-1,2,3,4,6,11-hexahydro-2,5,7,10-tetrahydroxy-6,11-dioxo-4-((2,3,6-trideoxy-4-o-(2,6-dideoxy-alpha-l-lyxo-hexopyranosyl)-3-(methylamino)-alpha-l-lyxo-hexopyranosyl)oxy)-1-naphthacenecarboxylate
  • schaunardimycin
CAS Number(s)
  • 93423-02-0
InChIKey RIUWCWJZHMOEJH-NTVFAKLGSA-N
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