[(2R,3S,5R)-5-(6-Aminopurine-1,3,7-Triium-9-Yl)-2-(Hydroxymethyl)Tetrahydrofuran-3-Yl] Dihydrogen Phosphate

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Formula C10H16N5O6P
IUPAC Name [(2r,3s,5r)-5-(6-aminopurine-1,3,7-triium-9-yl)-2-(hydroxymethyl)tetrahydrofuran-3-yl] dihydrogen phosphate
Molecular Mass 333.238 g·mol−1
Heat of Formation -1156.8 ± 16.7 kJ·mol−1
Dipole Moment 4.53 ± 1.08 D
Volume 342.38 Å 3
Surface Area 296.44 Å 2
HOMO Energy -9.14 ± 0.55 eV
LUMO Energy -0.63 ± eV
Point Group Symmetry C1
InChIKey VVXQRQRJPPMTDS-RRKCRQDMSA-O
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