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

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Properties Simple | Detailed

Formula C12H27N5O8P2
IUPAC Name 2-[2-(6-oxo-3h-purin-9-yl)ethyl-(2-phosphonoethyl)amino]ethoxymethylphosphonic acid
Molecular Mass 431.319 g·mol−1
Heat of Formation -1704.8 ± 16.7 kJ·mol−1
Dipole Moment 6.81 ± 1.08 D
Volume 457.09 Å 3
Surface Area 373.42 Å 2
HOMO Energy -8.91 ± 0.55 eV
LUMO Energy -0.92 ± eV
Point Group Symmetry C1
InChIKey DOQZRNUAQKXUPD-UHFFFAOYSA-N
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