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

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Properties Simple | Detailed

Formula C31H35NO11
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]butanamide
Molecular Mass 597.610 g·mol−1
Heat of Formation -1912.4 ± 16.7 kJ·mol−1
Dipole Moment 4.68 ± 1.08 D
Volume 662.69 Å 3
Surface Area 535.7 Å 2
HOMO Energy -9.02 ± 0.55 eV
LUMO Energy 1.15 ± eV
Point Group Symmetry C1
Synonyms
  • 5,12-naphthacenedione, 8-acetyl-7,8,9,10-tetrahydro-6,8,11-trihydroxy-1-methoxy-10-((2,3,6-trideoxy-3-((1-oxobutyl)amino)-alpha-l-lyxo-hexopyranosyl)oxy)-, (8s-cis)-
  • 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]butanamide
  • 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]butyramide
  • n-butyryldaunorubicin
InChIKey CBBJXBKRCWMSIQ-WFIXBFCKSA-N
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