Carbon Dioxide; 4-[(E)-2-[5-Hydroxy-6-[(2S,3R,4S,5S,6R)-3,4,5-Trihydroxy-6-(Hydroxymethyl)Tetrahydropyran-2-Yl]Oxy-Indolin-2-Id-1-Yl]Vinyl]-3H-Pyridin-1-Ium-6-Carboxylic Acid

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Properties Simple | Detailed

Formula C24H26N2O13
IUPAC Name (2s)-4-[(e)-2-[(2s)-2-carboxy-5-hydroxy-6-[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-indolin-1-yl]vinyl]-2,3-dihydropyridine-2,6-dicarboxylic acid
Molecular Mass 550.469 g·mol−1
Heat of Formation -2056.4 ± 16.7 kJ·mol−1
Dipole Moment 7.65 ± 1.08 D
Volume 596.86 Å 3
Surface Area 482.65 Å 2
HOMO Energy -8.28 ± 0.55 eV
LUMO Energy 2.08 ± eV
Point Group Symmetry C1
InChIKey IKCBLEDGTPAJDE-FTNGGYTGSA-N
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