6-Amino-9-[5-O-(Methoxyphosphinato)Pentofuranosyl]-7H-Purin-9-Ium

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Formula C11H17N5O7P+
IUPAC Name [(2r,3s,4r,5r)-5-(6-amino-7,8-dihydropurine-1,3-diium-5,8-diid-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl methyl hydrogen phosphate
Molecular Mass 362.256 g·mol−1
Heat of Formation -0.7 ± 16.7 kJ·mol−1
Dipole Moment 11.82 ± 1.08 D
Volume 347.2 Å 3
Surface Area 302.17 Å 2
HOMO Energy -8.20 ± 0.55 eV
LUMO Energy 0.46 ± eV
Point Group Symmetry C1
InChIKey PUKKUJMPDHKUJL-IOSLPCCCSA-O
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