[(2R,3S,4R,5R)-5-(4-Aminopyrrolo[2,3-D]Pyrimidin-7-Ium-4A-Id-7-Yl)-3,4-Dihydroxy-Tetrahydrofuran-2-Yl]Methyl Dihydrogen Phosphate

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Formula C11H15N4O7P
IUPAC Name [(2r,3s,4r,5r)-5-(4-aminopyrrolo[2,3-d]pyrimidin-7-ium-4a-id-7-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl dihydrogen phosphate
Molecular Mass 346.233 g·mol−1
Heat of Formation -1370.7 ± 16.7 kJ·mol−1
Dipole Moment 6.20 ± 1.08 D
Volume 354.51 Å 3
Surface Area 298.22 Å 2
HOMO Energy -8.99 ± 0.55 eV
LUMO Energy -0.60 ± eV
Point Group Symmetry C1
InChIKey XYHLBSPSEJZRNA-KCGFPETGSA-O
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