[(2R,3S,5R)-5-(2-Amino-6-Propoxy-Purine-1,3,7-Triium-9-Yl)-3-Hydroxy-Tetrahydrofuran-2-Yl]Methyl Dihydrogen Phosphate

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Properties Simple | Detailed

Formula C13H20N5O7P
IUPAC Name [(2r,3s,5r)-5-(2-amino-6-propoxy-purine-1,3,7-triium-9-yl)-3-hydroxy-tetrahydrofuran-2-yl]methyl dihydrogen phosphate
Molecular Mass 389.301 g·mol−1
Heat of Formation -1359.4 ± 16.7 kJ·mol−1
Dipole Moment 3.38 ± 1.08 D
Volume 413.01 Å 3
Surface Area 370.24 Å 2
HOMO Energy -8.69 ± 0.55 eV
LUMO Energy -0.63 ± eV
Point Group Symmetry C1
InChIKey INDMXFKFYWYLFQ-DJLDLDEBSA-O
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