(2S,3S,5S)-5-{[(1S,3S)-3-Glycoloyl-3,5,12-Trihydroxy-10-Methoxy-6,11-Dioxo-1,2,3,4,6,11-Hexahydro-1-Tetracenyl]Oxy}-2-Methyltetrahydro-3-Furancarbaldehyde

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Properties Simple | Detailed

Formula C27H26O11
IUPAC Name (2s,3s,5s)-2-methyl-5-[[(1s,3s)-3,5,12-trihydroxy-3-(2-hydroxyacetyl)-10-methoxy-6,11-dioxo-2,4-dihydro-1h-tetracen-1-yl]oxy]tetrahydrofuran-3-carbaldehyde
Molecular Mass 526.489 g·mol−1
Heat of Formation -1705.5 ± 16.7 kJ·mol−1
Dipole Moment 5.65 ± 1.08 D
Volume 569.32 Å 3
Surface Area 468.14 Å 2
HOMO Energy -8.94 ± 0.55 eV
LUMO Energy 1.20 ± eV
Point Group Symmetry C1
Synonyms
  • (2s,3s,5s)-2-methyl-5-[[(1s,3s)-3,5,12-trihydroxy-3-(2-hydroxy-1-oxoethyl)-10-methoxy-6,11-dioxo-2,4-dihydro-1h-tetracen-1-yl]oxy]-3-tetrahydrofurancarboxaldehyde
  • (2s,3s,5s)-2-methyl-5-[[(1s,3s)-3,5,12-trihydroxy-3-(2-hydroxyacetyl)-10-methoxy-6,11-dioxo-2,4-dihydro-1h-tetracen-1-yl]oxy]tetrahydrofuran-3-carbaldehyde
  • (2s,3s,5s)-2-methyl-5-[[(1s,3s)-3,5,12-trihydroxy-3-(2-hydroxyethanoyl)-10-methoxy-6,11-dioxo-2,4-dihydro-1h-tetracen-1-yl]oxy]oxolane-3-carbaldehyde
  • (2s,3s,5s)-5-[[(1s,3s)-3-glycoloyl-3,5,12-trihydroxy-6,11-diketo-10-methoxy-2,4-dihydro-1h-tetracen-1-yl]oxy]-2-methyl-tetrahydrofuran-3-carbaldehyde
  • 3-furancarboxaldehyde, 5-((1,2,3,4,6,11-hexahydro-3,5,12-trihydroxy-3-(hydroxyacetyl)-10-methoxy-6,11-dioxo-1-naphthacenyl)oxy)tetrahydro-2-methyl-, (2s-(2alpha,3alpha,5beta(1r*,3r*)))-
  • 5-((1,2,3,4,6,11-hexahydro-3,5,12-trihydroxy-3-(hydroxyacetyl)-10-methoxy-6,11-dioxo-1-naphthacenyl)oxy)tetrahydro-2-methyl-3-furancarboxaldehyde (2s-(2alpha,3alpha,5beta(1r*,3r*)))-
  • 7-o-(2,3,5-trideoxy-3-c-formyl-alpha-l-threo-pentafuranosyl)doxomycinone
  • 7-o-(2,3,5-trideoxy-3-c-formylpentafuranosyl)adriamycinone
  • 7-tfpa
CAS Number(s)
  • 100349-06-2
InChIKey JKZAEYKWDZYMJV-BMFNZSJVSA-N
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