(1R,2R,4S)-4-[(3-Amino-2,3,6-Trideoxy-α-L-Lyxo-Hexopyranosyl)Oxy]-2-Ethyl-2,5,7,12-Tetrahydroxy-6,11-Dioxo-1,2,3,4,6,11-Hexahydro-1-Tetracenecarboxylic Acid

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Properties Simple | Detailed

Formula C27H29NO11
IUPAC Name (1r,2r,4s)-4-[(2r,4s,5s,6s)-4-amino-5-hydroxy-6-methyl-tetrahydropyran-2-yl]oxy-2-ethyl-2,5,7,12-tetrahydroxy-6,11-dioxo-3,4-dihydro-1h-tetracene-1-carboxylic acid
Molecular Mass 543.519 g·mol−1
Heat of Formation -1949.7 ± 16.7 kJ·mol−1
Dipole Moment 1.18 ± 1.08 D
Volume 584.56 Å 3
Surface Area 456.22 Å 2
HOMO Energy -9.22 ± 0.55 eV
LUMO Energy -2.11 ± eV
Point Group Symmetry C1
Synonyms
  • (1r,2r,4s)-4-[(2r,4s,5s,6s)-4-amino-5-hydroxy-6-methyl-oxan-2-yl]oxy-2-ethyl-2,5,7,12-tetrahydroxy-6,11-dioxo-3,4-dihydro-1h-tetracene-1-carboxylic acid
  • (1r,2r,4s)-4-[(2r,4s,5s,6s)-4-amino-5-hydroxy-6-methyl-tetrahydropyran-2-yl]oxy-2-ethyl-2,5,7,12-tetrahydroxy-6,11-diketo-3,4-dihydro-1h-tetracene-1-carboxylic acid
  • (1r,2r,4s)-4-[(2r,4s,5s,6s)-4-amino-5-hydroxy-6-methyl-tetrahydropyran-2-yl]oxy-2-ethyl-2,5,7,12-tetrahydroxy-6,11-dioxo-3,4-dihydro-1h-tetracene-1-carboxylic acid
  • (1r,2r,4s)-4-[[(2r,4s,5s,6s)-4-amino-5-hydroxy-6-methyl-2-tetrahydropyranyl]oxy]-2-ethyl-2,5,7,12-tetrahydroxy-6,11-dioxo-3,4-dihydro-1h-tetracene-1-carboxylic acid
  • 1-naphthacenecarboxylic acid, 4-((3-amino-2,3,6-trideoxy-alpha-l-lyxo-hexopyranosyl)oxy)-2-ethyl-1,2,3,4,6,11-hexahydro-2,5,7,12-tetrahydroxy-6,11-dioxo-, (1r-(1alpha,2beta,4beta))-
  • 10-carboxy-13-deoxocarminomycin
  • 10-carboxy-13-deoxycarminomycin
  • d 788-1
  • d-788-1
  • d788-1
CAS Number(s)
  • 97583-07-8
InChIKey MMYTYGXIKKVLES-AGMCFEMXSA-N
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