[(2R,3S,4R,5R)-4-Hydroxy-5-(6-Oxo-3H-Purine-1,7-Diium-4-Id-9-Yl)-3-Sulfooxy-Tetrahydrofuran-2-Yl]Methyl Dihydrogen Phosphate

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Properties Simple | Detailed

Formula C10H15N4O11PS+
IUPAC Name [(2r,3s,4r,5r)-4-hydroxy-5-(6-oxo-3h-purine-1,7-diium-4-id-9-yl)-3-sulfooxy-tetrahydrofuran-2-yl]methyl dihydrogen phosphate
Molecular Mass 430.285 g·mol−1
Heat of Formation -1963.0 ± 16.7 kJ·mol−1
Dipole Moment 10.12 ± 1.08 D
Volume 399.47 Å 3
Surface Area 344.63 Å 2
HOMO Energy -9.08 ± 0.55 eV
LUMO Energy 1.85 ± eV
Point Group Symmetry C1
InChIKey GHIKOACBSBIWRA-KQYNXXCUSA-P
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