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

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Properties Simple | Detailed

Formula C12H26N6O8P2
IUPAC Name [(e)-2-[2-(2-amino-6-oxo-1,8-dihydropurine-2,3,4,5,7,8-hexaid-9-yl)ethyl-[2-(phosphonomethoxy)ethyl]amino]vinyl]phosphonic acid
Molecular Mass 444.318 g·mol−1
Heat of Formation -1671.6 ± 16.7 kJ·mol−1
Dipole Moment 8.88 ± 1.08 D
Volume 459.71 Å 3
Surface Area 382.14 Å 2
HOMO Energy -8.60 ± 0.55 eV
LUMO Energy -0.87 ± eV
Point Group Symmetry C1
InChIKey HGNAMUIMUCHWJL-GQCTYLIASA-N
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