[(E)-2-(2-{[2-(6-Oxo-1,6-Dihydro-9H-Purin-9-Yl)Ethyl](2-Phosphonoethyl)Amino}Ethoxy)Vinyl]Phosphonic Acid

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Formula C13H27N5O8P2
IUPAC Name [(e)-2-[2-[2-(6-oxo-2,8-dihydro-1h-purine-2,3,4,5,7,8-hexaid-9-yl)ethyl-(2-phosphonoethyl)amino]ethoxy]vinyl]phosphonic acid
Molecular Mass 443.330 g·mol−1
Heat of Formation -1661.3 ± 16.7 kJ·mol−1
Dipole Moment 4.02 ± 1.08 D
Volume 471.82 Å 3
Surface Area 393.37 Å 2
HOMO Energy -9.55 ± 0.55 eV
LUMO Energy -1.00 ± eV
Point Group Symmetry C1
InChIKey SGNFOZIWXPTVIN-SOFGYWHQSA-N
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