[(2S,3Ar,4R,6R,6Ar)-4-(6-Aminopurine-1,3,7-Triium-9-Yl)-2-Hydroxy-2-Oxo-3A,4,6,6A-Tetrahydrofuro[3,4-D][1,3,2]Dioxaphosphol-6-Yl]Methyl Sulfo Hydrogen Phosphate

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Formula C10H13N5O12P2S
IUPAC Name [(2s,3ar,4r,6r,6ar)-4-(6-aminopurine-1,3,7-triium-9-yl)-2-hydroxy-2-oxo-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3,2]dioxaphosphol-6-yl]methyl sulfo hydrogen phosphate
Molecular Mass 489.249 g·mol−1
Heat of Formation -2477.5 ± 16.7 kJ·mol−1
Dipole Moment 4.41 ± 1.08 D
Volume 439.33 Å 3
Surface Area 351.82 Å 2
HOMO Energy -9.44 ± 0.55 eV
LUMO Energy -0.97 ± eV
Point Group Symmetry C1
InChIKey DQNAJGKVJKQIOH-KQYNXXCUSA-O
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