5-Amino-7-[(3S)-3-Amino-1-Pyrrolidinyl]-6-Fluoro-1-(2-Methyl-2-Propanyl)-4-Oxo-1,4-Dihydro-1,8-Naphthyridine-3-Carboxylic Acid

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Properties Simple | Detailed

Formula C17H22FN5O3
IUPAC Name 5-amino-7-[(3s)-3-aminopyrrolidin-1-yl]-1-tert-butyl-6-fluoro-4-oxo-1,8-naphthyridine-3-carboxylic acid
Molecular Mass 363.387 g·mol−1
Heat of Formation -604.9 ± 16.7 kJ·mol−1
Dipole Moment 5.63 ± 1.08 D
Volume 412.17 Å 3
Surface Area 349.43 Å 2
HOMO Energy -8.73 ± 0.55 eV
LUMO Energy -0.94 ± eV
Point Group Symmetry C1
Synonyms
  • 5-amino-7-[(3s)-3-amino-1-pyrrolidinyl]-1-tert-butyl-6-fluoro-4-oxo-1,8-naphthyridine-3-carboxylic acid
  • 5-amino-7-[(3s)-3-aminopyrrolidin-1-yl]-1-tert-butyl-6-fluoro-4-keto-1,8-naphthyridine-3-carboxylic acid
  • bmy 45243
  • bmy-45243
CAS Number(s)
  • 147740-98-5
InChIKey NAPVPKCCULWZNJ-QMMMGPOBSA-N
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