[(3R)-3-Amino-3-Carboxy-Butyl]-[[(2S,3S,4R,5R)-5-(6-Aminopurine-1,3,7-Triium-9-Yl)-3,4-Dihydroxy-Tetrahydrofuran-2-Yl]Methyl]-Methyl-Sulfonium

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Formula C16H25N6O5S
IUPAC Name [(3r)-3-amino-3-carboxy-butyl]-[[(2s,3s,4r,5r)-5-(6-aminopurine-1,3,7-triium-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl]-methyl-sulfonium
Molecular Mass 413.472 g·mol−1
Heat of Formation -594.8 ± 16.7 kJ·mol−1
Dipole Moment 5.68 ± 1.08 D
Volume 474.05 Å 3
Surface Area 376.23 Å 2
HOMO Energy -8.29 ± 0.55 eV
LUMO Energy -0.83 ± eV
Point Group Symmetry C1
InChIKey AGEDGQAUNXEFTQ-MSMHNSOUSA-O
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