[(2R,3S,4R,5R)-5-[2-[[(E)-But-2-Enoyl]Amino]Purine-1,3,7-Triium-9-Yl]-3,4-Dihydroxy-Tetrahydrofuran-2-Yl]Methyl Dihydrogen Phosphate

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Formula C14H18N5O8P
IUPAC Name [(2r,3s,4r,5r)-5-[2-[[(e)-but-2-enoyl]amino]purine-1,3,7-triium-9-yl]-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl dihydrogen phosphate
Molecular Mass 415.295 g·mol−1
Heat of Formation -1418.8 ± 16.7 kJ·mol−1
Dipole Moment 6.36 ± 1.08 D
Volume 438.42 Å 3
Surface Area 368.73 Å 2
HOMO Energy -9.23 ± 0.55 eV
LUMO Energy -0.94 ± eV
Point Group Symmetry C1
InChIKey CICPIYXHAHWKDX-RGBORCEKSA-O
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