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

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Properties Simple | Detailed

Formula C11H16N4O7PS
IUPAC Name [(2r,3s,4r,5r)-3,4-dihydroxy-5-(2-methyl-6-thioxo-3h-purine-1,7-diium-4-id-9-yl)tetrahydrofuran-2-yl]methyl dihydrogen phosphate
Molecular Mass 379.306 g·mol−1
Heat of Formation -1252.8 ± 16.7 kJ·mol−1
Dipole Moment 11.92 ± 1.08 D
Volume 387.96 Å 3
Surface Area 338.19 Å 2
HOMO Energy -7.88 ± 0.55 eV
LUMO Energy -1.16 ± eV
Point Group Symmetry C1
InChIKey MLGOPBOXIQTHGP-IOSLPCCCSA-P
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