[(2R,3S,5R)-3-Hydroxy-5-[6-[[(2S)-2-Hydroxybut-3-Enyl]Amino]Purin-9-Ium-9-Yl]Tetrahydrofuran-2-Yl]Methyl Dihydrogen Phosphate

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Formula C14H20N5O7P
IUPAC Name [(2r,3s,5r)-3-hydroxy-5-[6-[[(2s)-2-hydroxybut-3-enyl]amino]purin-9-ium-9-yl]tetrahydrofuran-2-yl]methyl dihydrogen phosphate
Molecular Mass 401.312 g·mol−1
Heat of Formation -1270.6 ± 16.7 kJ·mol−1
Dipole Moment 6.33 ± 1.08 D
Volume 429.79 Å 3
Surface Area 382.28 Å 2
HOMO Energy -8.78 ± 0.55 eV
LUMO Energy -0.37 ± eV
Point Group Symmetry C1
InChIKey KQKWEOLKIBWBEK-UKKRHICBSA-N
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