(5R,6R,7S,8S)-6,7,8-Trihydroxy-5-(Hydroxymethyl)-2-(2-Phenylethyl)-5,6,7,8-Tetrahydro-1H-Imidazo[1,2-A]Pyridin-4-Ium

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Properties Simple | Detailed

Formula C16H21N2O4+
IUPAC Name (5r,6r,7s,8s)-5-(hydroxymethyl)-2-(2-phenylethyl)-5,6,7,8-tetrahydro-1h-imidazo[1,2-a]pyridin-4-ium-6,7,8-triol
Molecular Mass 305.349 g·mol−1
Heat of Formation 1344.0 ± 16.7 kJ·mol−1
Dipole Moment 1.54 ± 1.08 D
Volume 280.91 Å 3
Surface Area 202.95 Å 2
HOMO Energy -9.08 ± 0.55 eV
LUMO Energy -2.87 ± eV
Point Group Symmetry C1
InChIKey MLRMIFDEZCZOAE-APIJFGDWSA-O
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