[(2R,3S,4R,5R)-3,4-Dihydroxy-5-(2-Oxo-6-Thioxo-3H-Purin-7-Ium-4-Id-9-Yl)Tetrahydrofuran-2-Yl]Methyl Dihydrogen Phosphate

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Properties Simple | Detailed

Formula C10H14N4O8PS
IUPAC Name [(2r,3s,4r,5r)-3,4-dihydroxy-5-(2-oxo-6-thioxo-3h-purin-7-ium-4-id-9-yl)tetrahydrofuran-2-yl]methyl dihydrogen phosphate
Molecular Mass 381.279 g·mol−1
Heat of Formation -1475.5 ± 16.7 kJ·mol−1
Dipole Moment 9.65 ± 1.08 D
Volume 377.1 Å 3
Surface Area 329.21 Å 2
HOMO Energy -8.58 ± 0.55 eV
LUMO Energy -1.41 ± eV
Point Group Symmetry C1
InChIKey PHAMIWMCTDMBBS-UUOKFMHZSA-Q
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