(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-[(Trifluoroacetyl)Amino]-α-L-Lyxo-Hexopyranoside

Molecule SVG Image

Properties Simple | Detailed

Formula C29H28F3NO11
IUPAC Name (1s,3s)-3-acetyl-3-hydroxy-10-methoxy-1-[(2r,4s,5s,6s)-6-methyl-5-oxido-4-[(2,2,2-trifluoroacetyl)amino]tetrahydropyran-2-yl]oxy-6,11-dioxo-1,2,4,7,8,9-hexahydrotetracene-7,8,9-triide-5,12-diolate
Molecular Mass 623.528 g·mol−1
Heat of Formation -64.7 ± 16.7 kJ·mol−1
Dipole Moment 2.77 ± 1.08 D
Volume 619.59 Å 3
Surface Area 501.34 Å 2
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-((trifluoroacetyl)amino)-alpha-l-lyxo-hexopyranosyl)oxy)-, (8s-cis)-
  • n-(trifluoroacetyl)daunomycin
  • 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]-2,2,2-trifluoroacetamide
  • 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]-2,2,2-trifluoro-acetamide
  • 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]-2,2,2-trifluoroacetamide
  • 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]-2,2,2-trifluoro-acetamide
  • 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]-2,2,2-trifluoro-ethanamide
  • trifluoroacetyldaunomycin
CAS Number(s)
  • 26388-52-3
  • 52471-41-7
  • 64686-33-5
InChIKey VOASREXNXKOKBP-HWJSKKJZSA-N
QR Code Generate QR Code
Links PubChem ChemSpider
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H C N O F