(1S,3S)-3-Acetyl-3,5,12-Trihydroxy-10-Methoxy-6,11-Dioxo-1,2,3,4,6,11-Hexahydro-1-Tetracenyl 2,3,6-Trideoxy-3-(D-Leucylamino)-α-L-Lyxo-Hexopyranoside

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Properties Simple | Detailed

Formula C33H40N2O11
IUPAC Name (2r)-n-[(2s,3s,4s,6r)-6-[[(1s,3s)-3-acetyl-3,5,12-trihydroxy-10-methoxy-6,11-dioxo-2,4-dihydro-1h-tetracen-1-yl]oxy]-3-hydroxy-2-methyl-tetrahydropyran-4-yl]-2-amino-4-methyl-pentanamide
Molecular Mass 640.677 g·mol−1
Heat of Formation -1931.0 ± 16.7 kJ·mol−1
Dipole Moment 5.50 ± 1.08 D
Volume 732.25 Å 3
Surface Area 567.2 Å 2
HOMO Energy -9.03 ± 0.55 eV
LUMO Energy -1.87 ± eV
Point Group Symmetry C1
Synonyms
  • (2r)-2-amino-n-[(2s,3s,4s,6r)-6-[[(1s,3s)-3-ethanoyl-3,5,12-trihydroxy-10-methoxy-6,11-dioxo-2,4-dihydro-1h-tetracen-1-yl]oxy]-3-hydroxy-2-methyl-oxan-4-yl]-4-methyl-pentanamide
  • (2r)-n-[(2s,3s,4s,6r)-6-[[(1s,3s)-3-acetyl-3,5,12-trihydroxy-10-methoxy-6,11-dioxo-2,4-dihydro-1h-tetracen-1-yl]oxy]-3-hydroxy-2-methyl-4-tetrahydropyranyl]-2-amino-4-methylpentanamide
  • (2r)-n-[(2s,3s,4s,6r)-6-[[(1s,3s)-3-acetyl-3,5,12-trihydroxy-10-methoxy-6,11-dioxo-2,4-dihydro-1h-tetracen-1-yl]oxy]-3-hydroxy-2-methyl-tetrahydropyran-4-yl]-2-amino-4-methyl-pentanamide
  • (2r)-n-[(2s,3s,4s,6r)-6-[[(1s,3s)-3-acetyl-3,5,12-trihydroxy-10-methoxy-6,11-dioxo-2,4-dihydro-1h-tetracen-1-yl]oxy]-3-hydroxy-2-methyloxan-4-yl]-2-amino-4-methylpentanamide
  • (2r)-n-[(2s,3s,4s,6r)-6-[[(1s,3s)-3-acetyl-3,5,12-trihydroxy-6,11-diketo-10-methoxy-2,4-dihydro-1h-tetracen-1-yl]oxy]-3-hydroxy-2-methyl-tetrahydropyran-4-yl]-2-amino-4-methyl-valeramide
  • 5,12-naphthacenedione, 8-acetyl-10-((3-((2-amino-4-methyl-1-oxopentyl)amino)-2,3,6-trideoxy-alpha-l-lyxo-hexopyranosyl)oxy)-7,8,9,10-tetrahydro-6,8,11-trihydroxy-1-methoxy-, (8s-(8alpha,10alpha(s*)))-
  • n-leucyldaunorubicin
CAS Number(s)
  • 23828-86-6
InChIKey DZINNPYMYFDDHL-LRYKVSCXSA-N
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