[[(2R,3S,4R,5R)-5-(6-Aminopurine-1,3,7-Triium-9-Yl)-3,4-Dihydroxy-Tetrahydrofuran-2-Yl]Methoxy-Hydroxy-Phosphoryl] [(2R,3S)-3-Hydroxytetrahydrofuran-2-Yl]Methyl Hydrogen Phosphate

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Formula C15H23N5O12P2
IUPAC Name [[(2r,3s,4r,5r)-5-(6-aminopurine-1,3,7-triium-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl] [(2r,3s)-3-hydroxytetrahydrofuran-2-yl]methyl hydrogen phosphate
Molecular Mass 527.317 g·mol−1
Heat of Formation -2549.0 ± 16.7 kJ·mol−1
Dipole Moment 3.53 ± 1.08 D
Volume 526.15 Å 3
Surface Area 421.35 Å 2
HOMO Energy -9.22 ± 0.55 eV
LUMO Energy -1.40 ± eV
Point Group Symmetry C1
InChIKey IAIOPLZVVYSCGC-IBCGMDAMSA-O
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