[(2R,3S,6R)-6-(2-Amino-6-Oxo-1H-Purine-3,7-Diium-9-Yl)-3-Hydroxy-Tetrahydropyran-2-Yl]Methyl Dihydrogen Phosphate

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Properties Simple | Detailed

Formula C11H16N5O7P
IUPAC Name [(2r,3s,6r)-6-(2-amino-6-oxo-1h-purine-3,7-diium-9-yl)-3-hydroxy-tetrahydropyran-2-yl]methyl dihydrogen phosphate
Molecular Mass 361.248 g·mol−1
Heat of Formation -1364.4 ± 16.7 kJ·mol−1
Dipole Moment 10.80 ± 1.08 D
Volume 373.16 Å 3
Surface Area 322.39 Å 2
HOMO Energy -8.97 ± 0.55 eV
LUMO Energy -0.84 ± eV
Point Group Symmetry C1
InChIKey TXSKAYYHGSPRBS-RRKCRQDMSA-P
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