3,3'-(2,6-Dimethyl-1,4-Dihydropyridine-3,5-Diyl)Bis(2-Hydroxy-3-Oxopropanoic Acid)

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Properties Simple | Detailed

Formula C13H15NO8
IUPAC Name (2s)-3-[5-[(2s)-2-carboxy-2-hydroxy-acetyl]-2,6-dimethyl-1,4-dihydropyridin-3-yl]-2-hydroxy-3-oxo-propanoic acid
Molecular Mass 313.260 g·mol−1
Heat of Formation -1360.8 ± 16.7 kJ·mol−1
Dipole Moment 8.02 ± 1.08 D
Volume 348.66 Å 3
Surface Area 304.57 Å 2
HOMO Energy -8.69 ± 0.55 eV
LUMO Energy -0.27 ± eV
Point Group Symmetry C2
InChIKey ZEWKNXNAEUDRRP-QWRGUYRKSA-N
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