(2S)-2-{1-[(Dimethylamino)Methyl]-2-Hydroxy-8-(Hydroxymethyl)-9-Oxo-9,11-Dihydroindolizino[1,2-B]Quinolin-7-Yl}-2-Hydroxybutanoic Acid

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Properties Simple | Detailed

Formula C23H26N3O6+
IUPAC Name (2s)-2-[1-[(dimethylamino)methyl]-2-hydroxy-8-(hydroxymethyl)-9-oxo-10,11-dihydroindolizino[1,2-b]quinolin-10-ium-7-yl]-2-hydroxy-butanoic acid
Molecular Mass 440.469 g·mol−1
Heat of Formation -818.4 ± 16.7 kJ·mol−1
Dipole Moment 8.07 ± 1.08 D
Volume 498.78 Å 3
Surface Area 417.31 Å 2
HOMO Energy -8.94 ± 0.55 eV
LUMO Energy -1.50 ± eV
Point Group Symmetry C1
Synonyms
  • (2s)-2-[1-(dimethylaminomethyl)-2-hydroxy-8-(hydroxymethyl)-9-oxo-11h-indolizino[1,2-b]quinolin-7-yl]-2-hydroxy-butanoic acid
  • (2s)-2-[1-(dimethylaminomethyl)-2-hydroxy-9-keto-8-methylol-11h-indolizino[1,2-b]quinolin-7-yl]-2-hydroxy-butyric acid
CAS Number(s)
  • 132877-29-3
InChIKey DPQJTQJZJNYUEC-QHCPKHFHSA-N
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