(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-(Octanoylamino)-α-L-Lyxo-Hexopyranoside

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Properties Simple | Detailed

Formula C35H43NO11
IUPAC Name 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]octanamide
Molecular Mass 653.716 g·mol−1
Heat of Formation -1929.4 ± 16.7 kJ·mol−1
Dipole Moment 6.82 ± 1.08 D
Volume 781.05 Å 3
Surface Area 588.36 Å 2
HOMO Energy -9.00 ± 0.55 eV
LUMO Energy -1.83 ± eV
Point Group Symmetry C1
Synonyms
  • 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]octanamide
  • 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]octanamide
  • 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]octanamide
  • 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]caprylamide
  • 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]octanamide
InChIKey RBOVTPOPAHJDMG-PEXABYJMSA-N
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