[(2R,3S,4R,5R)-5-(6-Aminopurine-1,3,7-Triium-9-Yl)-4-(4-Ethyl-Blahcyclopent-3-En-1-Yl)-3-Hydroxy-Tetrahydrofuran-2-Yl]Methyl Dihydrogen Phosphate

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Properties Simple | Detailed

Formula C14H21N8O6P
IUPAC Name [(2r,3s,4r,5r)-5-(6-aminopurine-1,3,7-triium-9-yl)-4-(4-ethyl-blahcyclopent-3-en-1-yl)-3-hydroxy-tetrahydrofuran-2-yl]methyl dihydrogen phosphate
Molecular Mass 428.340 g·mol−1
Heat of Formation -884.0 ± 16.7 kJ·mol−1
Dipole Moment 4.29 ± 1.08 D
Volume 449.49 Å 3
Surface Area 388.11 Å 2
HOMO Energy -9.27 ± 0.55 eV
LUMO Energy -0.76 ± eV
Point Group Symmetry C1
InChIKey SDJJYRFRALNBFM-IDTAVKCVSA-O
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