[(2R,3S,4R,5R)-5-(6-Aminopurine-1,3,7-Triium-9-Yl)-3,4-Dihydroxy-Tetrahydrofuran-2-Yl]Methyl Sulfo Hydrogen Phosphate

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Formula C10H14N5O10PS
IUPAC Name [(2r,3s,4r,5r)-5-(6-aminopurine-1,3,7-triium-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl sulfo hydrogen phosphate
Molecular Mass 427.284 g·mol−1
Heat of Formation -1819.8 ± 16.7 kJ·mol−1
Dipole Moment 4.51 ± 1.08 D
Volume 412.37 Å 3
Surface Area 367.34 Å 2
HOMO Energy -9.28 ± 0.55 eV
LUMO Energy -1.10 ± eV
Point Group Symmetry C1
InChIKey JNJNDKLOLWRZND-KQYNXXCUSA-O
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