(3Z)-4-[(3R,4S,5R)-4-Amino-3,5-Dihydroxy-1-Hexyn-1-Yl]-5-Fluoro-3-[(3-Methoxy-1H-Pyrrol-2-Yl)Methylene]-1,3-Dihydro-2H-Indol-2-One

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Properties Simple | Detailed

Formula C20H20FN3O4
IUPAC Name (3z)-4-[(3r,4s,5r)-4-amino-3,5-dihydroxy-hex-1-ynyl]-5-fluoro-3-[(3-methoxypyrrol-1-ium-3-ylium-2-yl)methylene]indolin-2-one
Molecular Mass 385.389 g·mol−1
Heat of Formation -439.7 ± 16.7 kJ·mol−1
Dipole Moment 3.25 ± 1.08 D
Volume 442.24 Å 3
Surface Area 379.08 Å 2
HOMO Energy -8.45 ± 0.55 eV
LUMO Energy -1.22 ± eV
Point Group Symmetry C1
Synonyms
  • (3z)-4-[(3r,4s,5r)-4-amino-3,5-dihydroxy-hex-1-ynyl]-5-fluoro-3-[(3-methoxy-1h-pyrrol-2-yl)methylene]indolin-2-one
  • (3z)-4-[(3r,4s,5r)-4-amino-3,5-dihydroxy-hex-1-ynyl]-5-fluoro-3-[(3-methoxy-1h-pyrrol-2-yl)methylene]oxindole
  • (3z)-4-[(3r,4s,5r)-4-amino-3,5-dihydroxy-hex-1-ynyl]-5-fluoro-3-[(3-methoxy-1h-pyrrol-2-yl)methylidene]-1h-indol-2-one
  • (3z)-4-[(3r,4s,5r)-4-amino-3,5-dihydroxyhex-1-ynyl]-5-fluoro-3-[(3-methoxy-1h-pyrrol-2-yl)methylene]-2-indolinone
  • (3z)-4-[(3r,4s,5r)-4-amino-3,5-dihydroxyhex-1-ynyl]-5-fluoro-3-[(3-methoxy-1h-pyrrol-2-yl)methylidene]-1h-indol-2-one
  • 4-((3r,4s,5r)-4-amino-3,5-dihydroxy-hex-1-ynyl)-5-fluoro-3-[1-(3-methoxy-1h-pyrrol-2-yl)-meth-(z)-ylidene]-1,3-dihydro-indol-2-one
  • fmd
InChIKey RAKYKJWUUUKCCW-MPLBGYFPSA-N
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