(1S,3S)-3,5,12-Trihydroxy-3-[(1E)-N-(1-Hydroxy-2,2,6,6-Tetramethyl-4-Piperidinylidene)Ethanehydrazonoyl]-10-Methoxy-6,11-Dioxo-1,2,3,4,6,11-Hexahydro-1-Tetracenyl 3-Amino-2,3,6-Trideoxy-α-L-Lyxo-Hexopyranoside

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Properties Simple | Detailed

Formula C36H46N4O10
IUPAC Name (7s,9s)-7-[(2r,4s,5s,6s)-4-amino-5-hydroxy-6-methyloxan-2-yl]oxy-6,9,11-trihydroxy-9-[n-[(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-ylidene)amino]-c-methylcarbonimidoyl]-4-methoxy-8,10-dihydro-7h-tetracene-5,12-dione
Molecular Mass 694.771 g·mol−1
Heat of Formation -1532.4 ± 16.7 kJ·mol−1
Dipole Moment 3.13 ± 1.08 D
Volume 804.79 Å 3
Surface Area 598.2 Å 2
HOMO Energy -8.88 ± 0.55 eV
LUMO Energy -1.74 ± eV
Point Group Symmetry C1
Synonyms
  • (7s,9s)-7-[(2r,4s,5s,6s)-4-amino-5-hydroxy-6-methyl-oxan-2-yl]oxy-6,9,11-trihydroxy-9-[n-[(1-hydroxy-2,2,6,6-tetramethyl-piperidin-4-ylidene)amino]-c-methyl-carbonimidoyl]-4-methoxy-8,10-dihydro-7h-tetracene-5,12-dione
  • (7s,9s)-7-[(2r,4s,5s,6s)-4-amino-5-hydroxy-6-methyl-tetrahydropyran-2-yl]oxy-6,9,11-trihydroxy-9-[n-[(1-hydroxy-2,2,6,6-tetramethyl-4-piperidylidene)amino]-c-methyl-carbonimidoyl]-4-methoxy-8,10-dihydro-7h-tetracene-5,12-dione
  • (7s,9s)-7-[(2r,4s,5s,6s)-4-amino-5-hydroxy-6-methyl-tetrahydropyran-2-yl]oxy-6,9,11-trihydroxy-9-[n-[(1-hydroxy-2,2,6,6-tetramethyl-4-piperidylidene)amino]-c-methyl-carbonimidoyl]-4-methoxy-8,10-dihydro-7h-tetracene-5,12-quinone
  • (7s,9s)-7-[[(2r,4s,5s,6s)-4-amino-5-hydroxy-6-methyl-2-tetrahydropyranyl]oxy]-6,9,11-trihydroxy-9-[(1e)-1-[(1-hydroxy-2,2,6,6-tetramethyl-4-piperidinylidene)hydrazono]ethyl]-4-methoxy-8,10-dihydro-7h-tetracene-5,12-dione
  • 1-piperidinyloxy, 4-((1-(4-((3-amino-2,3,6-trideoxy-alpha-l-lyxo-hexopyranosyl)oxy)-1,2,3,4,6,11-hexahydro-2,5,12-trihydroxy-7-methoxy-6,11-dioxo-2-naphthacenyl)ethylidene)hydrazono)-2,2,6,6-tetramethyl-, (2s-cis)-
  • emoxyl
CAS Number(s)
  • 84412-94-2
InChIKey PTBPQBZWBIRISO-IAGVQPJWSA-N
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