(2S)-2-Amino-4-[[(2S,4R,5R)-5-(4-Aminopyrrolo[2,3-D]Pyrimidine-1,3-Diium-4A-Id-7-Yl)-4-Hydroxy-Tetrahydrofuran-2-Yl]Methylsulfanyl]Butanoic Acid

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Formula C15H22N5O4S
IUPAC Name (2s)-2-amino-4-[[(2s,4r,5r)-5-(4-aminopyrrolo[2,3-d]pyrimidine-1,3-diium-4a-id-7-yl)-4-hydroxy-tetrahydrofuran-2-yl]methylsulfanyl]butanoic acid
Molecular Mass 368.431 g·mol−1
Heat of Formation -523.3 ± 16.7 kJ·mol−1
Dipole Moment 5.45 ± 1.08 D
Volume 420.25 Å 3
Surface Area 367.68 Å 2
HOMO Energy -8.64 ± 0.55 eV
LUMO Energy -0.23 ± eV
Point Group Symmetry C1
InChIKey HINMILXKBCXOMF-HJUHTLPRSA-O
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