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

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Properties Simple | Detailed

Formula C14H19N5O6S
IUPAC Name (2s)-2-amino-4-[[(2s,3s,4r,5r)-3,4-dihydroxy-5-(6-oxo-1h-purine-3,7-diium-9-yl)tetrahydrofuran-2-yl]methylsulfanyl]butanoic acid
Molecular Mass 385.396 g·mol−1
Heat of Formation -828.0 ± 16.7 kJ·mol−1
Dipole Moment 6.80 ± 1.08 D
Volume 421.79 Å 3
Surface Area 375.83 Å 2
HOMO Energy -8.95 ± 0.55 eV
LUMO Energy -0.86 ± eV
Point Group Symmetry C1
InChIKey DXNGDYXMUIEZFP-WFMPWKQPSA-P
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