5-Hydroxy-2-(Hydroxymethyl)-1-(2-Sulfoethyl)-3H-Pyridin-1-Ium-3-Id-4-One

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Formula C8H18NO6S+
IUPAC Name 5-hydroxy-2-(hydroxymethyl)-1-(2-sulfoethyl)-3h-pyridin-1-ium-3-id-4-one
Molecular Mass 256.297 g·mol−1
Heat of Formation -917.7 ± 16.7 kJ·mol−1
Dipole Moment 5.91 ± 1.08 D
Volume 262.31 Å 3
Surface Area 244.85 Å 2
HOMO Energy -8.82 ± 0.55 eV
LUMO Energy -0.53 ± eV
Point Group Symmetry C1
InChIKey VNXXUQMYQYKTMH-UHFFFAOYSA-O
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