[(1R)-2-(6-Aminopurine-1,3,7-Triium-9-Yl)-1-Methyl-Ethoxy]Methyl-Phosphonooxy-Phosphinic Acid

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Formula C9H15N5O7P2
IUPAC Name [(1r)-2-(6-aminopurine-1,3,7-triium-9-yl)-1-methyl-ethoxy]methyl-phosphonooxy-phosphinic acid
Molecular Mass 367.192 g·mol−1
Heat of Formation -1594.7 ± 16.7 kJ·mol−1
Dipole Moment 4.12 ± 1.08 D
Volume 371.36 Å 3
Surface Area 313.35 Å 2
HOMO Energy -8.87 ± 0.55 eV
LUMO Energy -1.39 ± eV
Point Group Symmetry C1
InChIKey VMUUBJZWFWRHPQ-ZCFIWIBFSA-O
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