Methyl (1R,2R,4S)-4-[(3-Amino-2,3,6-Trideoxy-α-L-Lyxo-Hexopyranosyl)Oxy]-2-Ethyl-2,5,7,10,12-Pentahydroxy-6,11-Dioxo-1,2,3,4,6,11-Hexahydro-1-Tetracenecarboxylate

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Properties Simple | Detailed

Formula C28H31NO12
IUPAC Name (1r,2r,4s)-4-[(2r,4s,5s,6s)-4-amino-5-hydroxy-6-methyl-tetrahydropyran-2-yl]oxy-2-ethyl-6,7-diformyl-2,5,8-trihydroxy-tetralin-1-carboxylate dihydrate
Molecular Mass 573.545 g·mol−1
Heat of Formation -2137.0 ± 16.7 kJ·mol−1
Dipole Moment 1.90 ± 1.08 D
Volume 615.97 Å 3
Surface Area 479.67 Å 2
HOMO Energy -9.02 ± 0.55 eV
LUMO Energy -2.17 ± eV
Point Group Symmetry C1
Synonyms
  • (1r,2r,4s)-4-[(2r,4s,5s,6s)-4-amino-5-hydroxy-6-methyl-tetrahydropyran-2-yl]oxy-2-ethyl-2,5,7,10,12-pentahydroxy-6,11-diketo-3,4-dihydro-1h-tetracene-1-carboxylic acid methyl ester
  • (1r,2r,4s)-4-[[(2r,4s,5s,6s)-4-amino-5-hydroxy-6-methyl-2-tetrahydropyranyl]oxy]-2-ethyl-2,5,7,10,12-pentahydroxy-6,11-dioxo-3,4-dihydro-1h-tetracene-1-carboxylic acid methyl ester
  • 1-hydroxy-10-methoxycarbonyl-13-deoxocarminomycin
  • 1-naphthacenecarboxylic acid, 4-((3-amino-2,3,6-trideoxy-alpha-l-lyxo-hexopyranosyl)oxy)-2-ethyl-1,2,3,4,6,11-hexahydro-2,5,7,10,12-pentahydroxy-6,11-dioxo-, methyl ester, (1r-(1alpha,2beta,4beta))-
  • 7-o-(3-amino-2,3,6-trideoxy-alpha-hexopyranosyl)-epsilon-isorhodomycinone
  • athr
  • methyl (1r,2r,4s)-4-[(2r,4s,5s,6s)-4-amino-5-hydroxy-6-methyl-oxan-2-yl]oxy-2-ethyl-2,5,7,10,12-pentahydroxy-6,11-dioxo-3,4-dihydro-1h-tetracene-1-carboxylate
  • methyl (1r,2r,4s)-4-[(2r,4s,5s,6s)-4-amino-5-hydroxy-6-methyl-tetrahydropyran-2-yl]oxy-2-ethyl-2,5,7,10,12-pentahydroxy-6,11-dioxo-3,4-dihydro-1h-tetracene-1-carboxylate
  • methyl (1r,2r,4s)-4-[(2r,4s,5s,6s)-4-amino-5-hydroxy-6-methyloxan-2-yl]oxy-2-ethyl-2,5,7,10,12-pentahydroxy-6,11-dioxo-3,4-dihydro-1h-tetracene-1-carboxylate
CAS Number(s)
  • 117016-15-6
InChIKey QZUSXQWRSHCKJZ-BCMLCFFESA-N
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