(2S)-2-Amino-4-({[(2S,4R,5R)-5-(4-Amino-1H-Imidazo[4,5-C]Pyridin-1-Yl)-4-Hydroxytetrahydro-2-Furanyl]Methyl}Sulfanyl)Butanoic Acid

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Properties Simple | Detailed

Formula C15H21N5O4S
IUPAC Name (2s)-2-amino-4-[[(2r,4r,5r)-5-(4-aminoimidazo[4,5-c]pyridin-1-ium-1-yl)-4-hydroxy-tetrahydrofuran-2-yl]methylsulfanyl]butanoic acid
Molecular Mass 367.423 g·mol−1
Heat of Formation -552.2 ± 16.7 kJ·mol−1
Dipole Moment 3.90 ± 1.08 D
Volume 418.08 Å 3
Surface Area 340.46 Å 2
HOMO Energy -8.41 ± 0.55 eV
LUMO Energy -0.15 ± eV
Point Group Symmetry C1
InChIKey QJGGZPIWCXHXGB-SZRLZVLASA-N
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