6-Chloro-1,4-Dihydro-4-Oxo-1-(β-D-Ribofuranosyl)Quinoline-3-Carboxylic Acid

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Formula C15H14ClNO7
IUPAC Name 6-chloro-1-[(2r,3r,4s,5r)-3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-4-oxo-quinoline-3-carboxylic acid
Molecular Mass 355.727 g·mol−1
Heat of Formation -1129.3 ± 16.7 kJ·mol−1
Dipole Moment 5.68 ± 1.08 D
Volume 364.7 Å 3
Surface Area 308.66 Å 2
HOMO Energy -9.34 ± 0.55 eV
LUMO Energy -1.21 ± eV
Point Group Symmetry C1
Synonyms
  • 6-chloro-1-[(2r,3r,4s,5r)-3,4-dihydroxy-5-(hydroxymethyl)-2-tetrahydrofuranyl]-4-oxo-3-quinolinecarboxylic acid
  • 6-chloro-1-[(2r,3r,4s,5r)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-4-oxo-quinoline-3-carboxylic acid
  • 6-chloro-1-[(2r,3r,4s,5r)-3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-4-oxo-quinoline-3-carboxylic acid
  • 6-chloro-1-[(2r,3r,4s,5r)-3,4-dihydroxy-5-methylol-tetrahydrofuran-2-yl]-4-keto-quinoline-3-carboxylic acid
InChIKey IFFPNCKBDBQCNL-FMKGYKFTSA-N
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Elements H C N O Cl