(2S)-2-Amino-4-[[(2S,3S,4R,5R)-3,4-Dihydroxy-5-[6-(Methylamino)Purin-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 -661.2 ± 16.7 kJ·mol−1
Dipole Moment 4.53 ± 1.08 D
Volume 444.48 Å 3
Surface Area 391.15 Å 2
HOMO Energy -8.86 ± 0.55 eV
LUMO Energy -0.52 ± eV
Point Group Symmetry C1
InChIKey GEJILRRXJVSBCM-TWBCTODHSA-N
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