6-Amino-9-(3-O-Phosphonopentofuranosyl)-7H-Purin-9-Ium

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Properties Simple | Detailed

Formula C10H14N5O7P
IUPAC Name [(2s,3r,4r,5r)-5-(6-amino-7,8-dihydropurine-1,3-diium-5,8-diid-9-yl)-4-hydroxy-2-(hydroxymethyl)tetrahydrofuran-3-yl] hydrogen phosphate
Molecular Mass 347.221 g·mol−1
Heat of Formation -179.2 ± 16.7 kJ·mol−1
Dipole Moment 9.63 ± 1.08 D
Volume 313.63 Å 3
Surface Area 291.49 Å 2
HOMO Energy -9.96 ± 0.55 eV
LUMO Energy -4.20 ± eV
Point Group Symmetry C1
InChIKey RWPBOBULEOMZCR-KQYNXXCUSA-O
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