[[(2R,3S,4R,5R)-5-(6-Aminopurine-1,3,7-Triium-9-Yl)-3,4-Dihydroxy-Tetrahydrofuran-2-Yl]Methoxy-Hydroxy-Phosphoryl] (2S)-2-Amino-4-Methylsulfanyl-Butanoate

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Formula C15H23N6O8PS
IUPAC Name [[(2r,3s,4r,5r)-5-(6-aminopurine-1,3,7-triium-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl] (2s)-2-amino-4-methylsulfanyl-butanoate
Molecular Mass 478.417 g·mol−1
Heat of Formation -1499.1 ± 16.7 kJ·mol−1
Dipole Moment 4.80 ± 1.08 D
Volume 516.89 Å 3
Surface Area 439.67 Å 2
HOMO Energy -8.80 ± 0.55 eV
LUMO Energy -0.75 ± eV
Point Group Symmetry C1
InChIKey YYYFFGBAAOGLIK-TWBCTODHSA-O
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