9-[(2S,3Ar,4R,6R,6Ar)-2-Hydroxy-6-(Hydroxymethyl)-2-Sulfido-3A,4,6,6A-Tetrahydrofuro[3,4-D][1,3,2]Dioxaphosphol-2-Ium-4-Yl]-2-Amino-1H-Purine-3,7-Diium-6-One

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Formula C10H13N5O6PS
IUPAC Name 9-[(2s,3ar,4r,6r,6ar)-2-hydroxy-6-(hydroxymethyl)-2-sulfido-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3,2]dioxaphosphol-2-ium-4-yl]-2-amino-1h-purine-3,7-diium-6-one
Molecular Mass 362.279 g·mol−1
Heat of Formation -1050.0 ± 16.7 kJ·mol−1
Dipole Moment 6.67 ± 1.08 D
Volume 358.42 Å 3
Surface Area 317.73 Å 2
HOMO Energy -8.99 ± 0.55 eV
LUMO Energy -0.82 ± eV
Point Group Symmetry C1
InChIKey NXNPLAZGAGYISU-FHIGPPGSSA-P
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