(1S,3S)-3-Glycoloyl-3,5,12-Trihydroxy-10-Methoxy-6,11-Dioxo-1,2,3,4,6,11-Hexahydro-1-Tetracenyl 2,3,6-Trideoxy-3-[(Trifluoroacetyl)Amino]-α-L-Lyxo-Hexopyranoside

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Properties Simple | Detailed

Formula C29H28F3NO12
IUPAC Name 2,2,2-trifluoro-n-[(2s,3s,4s,6r)-3-hydroxy-2-methyl-6-[[(1s,3s)-3,5,12-trihydroxy-3-(2-hydroxyacetyl)-10-methoxy-6,11-dioxo-2,4-dihydro-1h-tetracen-1-yl]oxy]tetrahydropyran-4-yl]acetamide
Molecular Mass 639.527 g·mol−1
Heat of Formation -2558.9 ± 16.7 kJ·mol−1
Dipole Moment 5.40 ± 1.08 D
Volume 660.82 Å 3
Surface Area 528.02 Å 2
HOMO Energy -9.18 ± 0.55 eV
LUMO Energy -2.00 ± eV
Point Group Symmetry C1
Synonyms
  • 2,2,2-trifluoro-n-[(2s,3s,4s,6r)-3-hydroxy-2-methyl-6-[[(1s,3s)-3,5,12-trihydroxy-3-(2-hydroxy-1-oxoethyl)-10-methoxy-6,11-dioxo-2,4-dihydro-1h-tetracen-1-yl]oxy]-4-tetrahydropyranyl]acetamide
  • 2,2,2-trifluoro-n-[(2s,3s,4s,6r)-3-hydroxy-2-methyl-6-[[(1s,3s)-3,5,12-trihydroxy-3-(2-hydroxyacetyl)-10-methoxy-6,11-dioxo-2,4-dihydro-1h-tetracen-1-yl]oxy]oxan-4-yl]acetamide
  • 2,2,2-trifluoro-n-[(2s,3s,4s,6r)-3-hydroxy-2-methyl-6-[[(1s,3s)-3,5,12-trihydroxy-3-(2-hydroxyacetyl)-10-methoxy-6,11-dioxo-2,4-dihydro-1h-tetracen-1-yl]oxy]tetrahydropyran-4-yl]acetamide
  • 2,2,2-trifluoro-n-[(2s,3s,4s,6r)-3-hydroxy-2-methyl-6-[[(1s,3s)-3,5,12-trihydroxy-3-(2-hydroxyethanoyl)-10-methoxy-6,11-dioxo-2,4-dihydro-1h-tetracen-1-yl]oxy]oxan-4-yl]ethanamide
  • 2,2,2-trifluoro-n-[(2s,3s,4s,6r)-6-[[(1s,3s)-3-glycoloyl-3,5,12-trihydroxy-6,11-diketo-10-methoxy-2,4-dihydro-1h-tetracen-1-yl]oxy]-3-hydroxy-2-methyl-tetrahydropyran-4-yl]acetamide
  • 3-glycoloyl-1,2,3,4,6,11-hexahydro-3,5,12-trihydroxy-10-methoxy-6,11-dioxo-1-naphthacenyl 2,3,6-trideoxy-3-(2,2,2-trifluoroacetamido)-l-lyxo-hexopyranoside (1s,3s)- alpha-
  • 5,12-naphthacenedione, 7,8,9,10-tetrahydro-8-(hydroxyacetyl)-1-methoxy-10-((2,3,6-trideoxy-3-(trifluoroacetamido)-alpha-l-lyxo-hexopyranosyl)oxy)-6,8,11-trihydroxy-, (8s-cis)-
  • ad 41
  • ad-41
  • ad41
  • l-lyxo-exopyranoside, 3-glycoloyl-1,2,3,4,6,11-hexahydro-3,5,12-trihydroxy-10-methoxy-6,11-dioxo-1-naphthacenyl-2,3,6-trideoxy-3-(2,2,2-trifluoroacetamido)-, (1s,3s)-.alpha.-
  • l-lyxo-hexopyranoside, 3-glycoloyl-1,2,3,4,6,11-hexahydro-3,5,12-trihydroxy-10-methoxy-6,11-dioxo-1-naphthacenyl 2,3,6-trideoxy-3-(2,2,2-trifluoroacetamido)-, (1s,3s)- alpha-
  • l-lyxo-hexopyranoside, 3-glycoloyl-1,2,3,4,6,11-hexahydro-3,5,12-trihydroxy-10-methoxy-6,11-dioxo-1-naphthacenyl-2,3,6-trideoxy-3-(2,2,2-trifluoroacetamido)-, (1s,3s)- alpha- (8ci)
  • n-trifluoroacetyladriamycin
  • n-trifluoroacetyldoxorubicin
CAS Number(s)
  • 26295-56-7
InChIKey RQIOYWADAKTIJC-XUKKXQNXSA-N
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