[6-(6-Aminopurin-9-Yl)-3-Hydroxy-3-Oxo-2,4,7-Trioxa-3$L^{5}-Vanadabicyclo[3.3.0]Octan-8-Yl]Methyl Phosphono Hydrogen Phosphate

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Properties Simple | Detailed

Formula C10H2N5O12P2V
IUPAC Name [6-(6-aminopurin-9-yl)-3-hydroxy-3-oxo-2,4,7-trioxa-3$l^{5}-vanadabicyclo[3.3.0]octan-8-yl]methyl phosphono hydrogen phosphate
Molecular Mass 497.038 g·mol−1
Heat of Formation -1813.9 ± 16.7 kJ·mol−1
Dipole Moment 5.14 ± 1.08 D
Volume 422.14 Å 3
Surface Area 345.42 Å 2
HOMO Energy -9.05 ± 0.55 eV
LUMO Energy -2.07 ± eV
Point Group Symmetry C1
InChIKey PCCLXHWRDHBBRF-UHFFFAOYSA-M
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