(1S,3S)-3-Acetyl-3,5,12-Trihydroxy-10-Methoxy-6,11-Dioxo-1,2,3,4,6,11-Hexahydro-1-Tetracenyl 2,6-Dideoxy-2-Fluoro-α-L-Talopyranoside

Molecule SVG Image

Properties Simple | Detailed

Formula C27H27FO11
IUPAC Name (7s,9s)-9-acetyl-7-[(2r,3r,4r,5s,6s)-3-fluoro-4,5-dihydroxy-6-methyl-tetrahydropyran-2-yl]oxy-6,9,11-trihydroxy-4-methoxy-8,10-dihydro-7h-tetracene-5,12-dione
Molecular Mass 546.495 g·mol−1
Heat of Formation -1897.8 ± 16.7 kJ·mol−1
Dipole Moment 2.73 ± 1.08 D
Volume 576.57 Å 3
Surface Area 460.3 Å 2
HOMO Energy -9.30 ± 0.55 eV
LUMO Energy -1.71 ± eV
Point Group Symmetry C1
Synonyms
  • (7s,9s)-9-acetyl-7-[(2r,3r,4r,5s,6s)-3-fluoro-4,5-dihydroxy-6-methyl-tetrahydropyran-2-yl]oxy-6,9,11-trihydroxy-4-methoxy-8,10-dihydro-7h-tetracene-5,12-dione
  • (7s,9s)-9-acetyl-7-[(2r,3r,4r,5s,6s)-3-fluoro-4,5-dihydroxy-6-methyl-tetrahydropyran-2-yl]oxy-6,9,11-trihydroxy-4-methoxy-8,10-dihydro-7h-tetracene-5,12-quinone
  • (7s,9s)-9-acetyl-7-[(2r,3r,4r,5s,6s)-3-fluoro-4,5-dihydroxy-6-methyloxan-2-yl]oxy-6,9,11-trihydroxy-4-methoxy-8,10-dihydro-7h-tetracene-5,12-dione
  • (7s,9s)-9-acetyl-7-[[(2r,3r,4r,5s,6s)-3-fluoro-4,5-dihydroxy-6-methyl-2-tetrahydropyranyl]oxy]-6,9,11-trihydroxy-4-methoxy-8,10-dihydro-7h-tetracene-5,12-dione
  • (7s,9s)-9-ethanoyl-7-[(2r,3r,4r,5s,6s)-3-fluoro-4,5-dihydroxy-6-methyl-oxan-2-yl]oxy-6,9,11-trihydroxy-4-methoxy-8,10-dihydro-7h-tetracene-5,12-dione
  • 5,12-naphthacenedione, 8-acetyl-10-((2,6-dideoxy-2-fluoro-alpha-l-talopyranosyl)oxy)-7,8,9,10-tetrahydro-6,8,11-trihydroxy-1-methoxy-, (8s-cis)-
  • 7-o-(2,6-dideoxy-2-fluorotalopyranosyl)daunomycinone
  • dftd
CAS Number(s)
  • 103946-11-8
InChIKey VWFDCDVWUZZPGT-GHLRWAQXSA-N
QR Code Generate QR Code
Links PubChem ChemSpider
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H C O F