(1S)-3-Acetyl-5,12-Dihydroxy-10-Methoxy-6,11-Dioxo-1,2,6,11-Tetrahydro-1-Tetracenyl 3-Amino-2,3,6-Trideoxy-α-L-Lyxo-Hexopyranoside

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Properties Simple | Detailed

Formula C27H27NO9
IUPAC Name (7s)-9-acetyl-7-[(2r,4s,5s,6s)-4-amino-5-hydroxy-6-methyl-tetrahydropyran-2-yl]oxy-6,11-dihydroxy-4-methoxy-7,8-dihydrotetracene-5,12-dione
Molecular Mass 509.505 g·mol−1
Heat of Formation -1355.7 ± 16.7 kJ·mol−1
Dipole Moment 5.65 ± 1.08 D
Volume 560.39 Å 3
Surface Area 458.57 Å 2
HOMO Energy -9.08 ± 0.55 eV
LUMO Energy 0.96 ± eV
Point Group Symmetry C1
Synonyms
  • (7s)-7-[(2r,4s,5s,6s)-4-amino-5-hydroxy-6-methyl-oxan-2-yl]oxy-9-ethanoyl-6,11-dihydroxy-4-methoxy-7,8-dihydrotetracene-5,12-dione
  • (7s)-9-acetyl-7-[(2r,4s,5s,6s)-4-amino-5-hydroxy-6-methyl-tetrahydropyran-2-yl]oxy-6,11-dihydroxy-4-methoxy-7,8-dihydrotetracene-5,12-dione
  • (7s)-9-acetyl-7-[(2r,4s,5s,6s)-4-amino-5-hydroxy-6-methyl-tetrahydropyran-2-yl]oxy-6,11-dihydroxy-4-methoxy-7,8-dihydrotetracene-5,12-quinone
  • (7s)-9-acetyl-7-[(2r,4s,5s,6s)-4-amino-5-hydroxy-6-methyloxan-2-yl]oxy-6,11-dihydroxy-4-methoxy-7,8-dihydrotetracene-5,12-dione
  • (7s)-9-acetyl-7-[[(2r,4s,5s,6s)-4-amino-5-hydroxy-6-methyl-2-tetrahydropyranyl]oxy]-6,11-dihydroxy-4-methoxy-7,8-dihydrotetracene-5,12-dione
  • 5,12-naphthacenedione, 8-acetyl-10-((3-amino-2,3,6-trideoxy-alpha-l-lyxo-hexopyranosyl)oxy)-9,10-dihydro-6,11-dihydroxy-1-methoxy-, (s)-
  • 9,10-anhydrodaunorubicin
InChIKey CLNMMLRSPFRZKD-LWSDYBGYSA-N
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