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

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Properties Simple | Detailed

Formula C11H16N5O7P
IUPAC Name [(2r,3s,5r)-5-(2-amino-1-methyl-6-oxo-purine-3,7-diium-9-yl)-3-hydroxy-tetrahydrofuran-2-yl]methyl dihydrogen phosphate
Molecular Mass 361.248 g·mol−1
Heat of Formation -1331.0 ± 16.7 kJ·mol−1
Dipole Moment 7.52 ± 1.08 D
Volume 373.58 Å 3
Surface Area 330.2 Å 2
HOMO Energy -8.81 ± 0.55 eV
LUMO Energy -0.65 ± eV
Point Group Symmetry C1
InChIKey NMNHDUPNKLGFLS-RRKCRQDMSA-P
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