[(2R,3S,4R,5R)-5-[6-(2-Furylmethylamino)Purine-1,3,7-Triium-9-Yl]-3,4-Dihydroxy-Tetrahydrofuran-2-Yl]Methyl Dihydrogen Phosphate

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Formula C15H18N5O8P
IUPAC Name [(2r,3s,4r,5r)-5-[6-(2-furylmethylamino)purine-1,3,7-triium-9-yl]-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl dihydrogen phosphate
Molecular Mass 427.306 g·mol−1
Heat of Formation -1308.2 ± 16.7 kJ·mol−1
Dipole Moment 4.89 ± 1.08 D
Volume 446.87 Å 3
Surface Area 400.78 Å 2
HOMO Energy -8.99 ± 0.55 eV
LUMO Energy -0.59 ± eV
Point Group Symmetry C1
InChIKey CPYFSTNYHHLYOZ-SDBHATRESA-O
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