(1S,3S)-3-Acetyl-3,5,12-Trihydroxy-10-Methoxy-6,11-Dioxo-1,2,3,4,6,11-Hexahydro-1-Tetracenyl 3-Amino-2,3,6-Trideoxy-β-D-Arabino-Hexopyranoside

Molecule SVG Image

Properties Simple | Detailed

Formula C21H29NO10
IUPAC Name (1s,3s)-3,7-diacetyl-1-[(2r,4r,5s,6r)-4-amino-5-hydroxy-6-methyl-tetrahydropyran-2-yl]oxy-3,5,8-trihydroxy-tetralin-6-carbaldehyde hydrate
Molecular Mass 455.456 g·mol−1
Heat of Formation -1604.4 ± 16.7 kJ·mol−1
Dipole Moment 4.95 ± 1.08 D
Volume 583.32 Å 3
Surface Area 474.28 Å 2
HOMO Energy -8.81 ± 0.55 eV
LUMO Energy 1.31 ± eV
Point Group Symmetry C1
Synonyms
  • (7s,9s)-7-[(2r,4r,5s,6r)-4-amino-5-hydroxy-6-methyl-oxan-2-yl]oxy-9-ethanoyl-6,9,11-trihydroxy-4-methoxy-8,10-dihydro-7h-tetracene-5,12-dione
  • (7s,9s)-9-acetyl-7-[(2r,4r,5s,6r)-4-amino-5-hydroxy-6-methyl-tetrahydropyran-2-yl]oxy-6,9,11-trihydroxy-4-methoxy-8,10-dihydro-7h-tetracene-5,12-dione
  • (7s,9s)-9-acetyl-7-[(2r,4r,5s,6r)-4-amino-5-hydroxy-6-methyl-tetrahydropyran-2-yl]oxy-6,9,11-trihydroxy-4-methoxy-8,10-dihydro-7h-tetracene-5,12-quinone
  • (7s,9s)-9-acetyl-7-[(2r,4r,5s,6r)-4-amino-5-hydroxy-6-methyloxan-2-yl]oxy-6,9,11-trihydroxy-4-methoxy-8,10-dihydro-7h-tetracene-5,12-dione
  • (7s,9s)-9-acetyl-7-[[(2r,4r,5s,6r)-4-amino-5-hydroxy-6-methyl-2-tetrahydropyranyl]oxy]-6,9,11-trihydroxy-4-methoxy-8,10-dihydro-7h-tetracene-5,12-dione
  • 4'-epidaunomycin
  • 5,12-naphthacenedione, 8-acetyl-10-((3-amino-2,3,6-trideoxy-beta-d-aralino-hexopyranosyl)oxy)-7,8,9,10-tetrahydro-6,8,11-trihydroxy-1-methoxy-, (8s-cis)-
CAS Number(s)
  • 75444-29-0
InChIKey STQGQHZAVUOBTE-HQXHJQOISA-N
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