(1S,3S)-3-Glycoloyl-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

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Properties Simple | Detailed

Formula C20H25FO12
IUPAC Name (1s,3s)-1-[(2r,3r,4r,5s,6s)-3-fluoro-4,5-dihydroxy-6-methyl-tetrahydropyran-2-yl]oxy-3,5,8-trihydroxy-3-(2-hydroxyacetyl)tetralin-6,7-dicarbaldehyde hydrate
Molecular Mass 476.404 g·mol−1
Heat of Formation -2157.1 ± 16.7 kJ·mol−1
Dipole Moment 4.45 ± 1.08 D
Volume 595.07 Å 3
Surface Area 475.81 Å 2
HOMO Energy -9.09 ± 0.55 eV
LUMO Energy -1.94 ± eV
Point Group Symmetry C1
Synonyms
  • (7s,9s)-7-[(2r,3r,4r,5s,6s)-3-fluoro-4,5-dihydroxy-6-methyl-oxan-2-yl]oxy-6,9,11-trihydroxy-9-(2-hydroxyethanoyl)-4-methoxy-8,10-dihydro-7h-tetracene-5,12-dione
  • (7s,9s)-7-[(2r,3r,4r,5s,6s)-3-fluoro-4,5-dihydroxy-6-methyl-tetrahydropyran-2-yl]oxy-6,9,11-trihydroxy-9-(2-hydroxyacetyl)-4-methoxy-8,10-dihydro-7h-tetracene-5,12-dione
  • (7s,9s)-7-[(2r,3r,4r,5s,6s)-3-fluoro-4,5-dihydroxy-6-methyl-tetrahydropyran-2-yl]oxy-9-glycoloyl-6,9,11-trihydroxy-4-methoxy-8,10-dihydro-7h-tetracene-5,12-quinone
  • (7s,9s)-7-[(2r,3r,4r,5s,6s)-3-fluoro-4,5-dihydroxy-6-methyloxan-2-yl]oxy-6,9,11-trihydroxy-9-(2-hydroxyacetyl)-4-methoxy-8,10-dihydro-7h-tetracene-5,12-dione
  • (7s,9s)-7-[[(2r,3r,4r,5s,6s)-3-fluoro-4,5-dihydroxy-6-methyl-2-tetrahydropyranyl]oxy]-6,9,11-trihydroxy-9-(2-hydroxy-1-oxoethyl)-4-methoxy-8,10-dihydro-7h-tetracene-5,12-dione
  • 5,12-naphthacenedione, 10-((2,6-dideoxy-2-fluoro-alpha-l-talopyranosyl)oxy)-7,8,9,10-tetrahydro-6,8,11-trihydroxy-8-(hydroxyacetyl)-1-methoxy-, (8s-cis)-
  • 7-o-(2,6-dideoxy-2-fluorotalopyranose)adriamycinone
  • dfta
CAS Number(s)
  • 103930-51-4
InChIKey KXGVIPZFMKMPFU-OATXVPTESA-N
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