(2S)-2-Amino-4-[[(2S,3S,4R,5R)-3,4-Dihydroxy-5-[6-(Methylamino)Purine-1,3,7-Triium-9-Yl]Tetrahydrofuran-2-Yl]Methylsulfanyl]Butanoic Acid

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Formula C15H22N6O5S
IUPAC Name (2s)-2-amino-4-[[(2s,3s,4r,5r)-3,4-dihydroxy-5-[6-(methylamino)purine-1,3,7-triium-9-yl]tetrahydrofuran-2-yl]methylsulfanyl]butanoic acid
Molecular Mass 398.437 g·mol−1
Heat of Formation -660.2 ± 16.7 kJ·mol−1
Dipole Moment 4.49 ± 1.08 D
Volume 445.47 Å 3
Surface Area 392.76 Å 2
HOMO Energy -8.86 ± 0.55 eV
LUMO Energy -0.51 ± eV
Point Group Symmetry C1
InChIKey WHTXKTGUPIKAJS-TWBCTODHSA-O
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