9-(S)-[2,3-Di(Phosphonylmethoxy)Propyl]Adenine

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Properties Simple | Detailed

Formula C10H17N5O8P2
IUPAC Name [(1s)-1-[(6-aminopurine-1,3,7-triium-9-yl)methyl]-2-(phosphonomethoxy)ethoxy]methylphosphonic acid
Molecular Mass 397.218 g·mol−1
Heat of Formation -1692.5 ± 16.7 kJ·mol−1
Dipole Moment 3.27 ± 1.08 D
Volume 411.52 Å 3
Surface Area 346.51 Å 2
HOMO Energy -8.98 ± 0.55 eV
LUMO Energy 2.53 ± eV
Point Group Symmetry C1
InChIKey QGORCYRTFBXJMK-SSDOTTSWSA-N
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