[5-(6-Amino-9H-Purin-9-Yl)-3,4-Dihydroxytetrahydro-2-Furanyl]Methyl (3,4,5-Trihydroxytetrahydro-2-Furanyl)Methyl Methylenebis[Hydrogen (Phosphonate)]

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Formula C16H25N5O13P2
IUPAC Name [(2r,3s,4r,5r)-5-(6-aminopurine-1,3,7-triium-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-[[hydroxy-[[(2r,3s,4r,5s)-3,4,5-trihydroxytetrahydrofuran-2-yl]methoxy]phosphoryl]methyl]phosphinic acid
Molecular Mass 557.343 g·mol−1
Heat of Formation -2539.2 ± 16.7 kJ·mol−1
Dipole Moment 5.40 ± 1.08 D
Volume 571.23 Å 3
Surface Area 488.51 Å 2
HOMO Energy -9.19 ± 0.55 eV
LUMO Energy -0.67 ± eV
Point Group Symmetry C1
InChIKey ZPZRETFSCSWNDT-CAUCCWOKSA-N
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