[(2R,3S,4R,5R)-5-(2-Amino-1-Methyl-6-Thioxo-Purine-1,9-Diium-9-Yl)-3,4-Dihydroxy-Tetrahydrofuran-2-Yl]Methyl Dihydrogen Phosphate

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Properties Simple | Detailed

Formula C11H18N5O7PS+
IUPAC Name [(2r,3s,4r,5r)-5-(2-amino-1-methyl-6-thioxo-purine-1,9-diium-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl dihydrogen phosphate
Molecular Mass 395.329 g·mol−1
Heat of Formation -1232.6 ± 16.7 kJ·mol−1
Dipole Moment 9.07 ± 1.08 D
Volume 400.94 Å 3
Surface Area 347.61 Å 2
HOMO Energy -8.25 ± 0.55 eV
LUMO Energy 2.13 ± eV
Point Group Symmetry C1
InChIKey VOJHOSVMBABLJK-FJGDRVTGSA-P
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