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

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Properties Simple | Detailed

Formula C10H16N8O12P3
IUPAC Name [[(2r,3s,4s,5r)-5-(6-aminopurine-1,3,7-triium-9-yl)-4-azido-3-hydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl] phosphono hydrogen phosphate
Molecular Mass 533.202 g·mol−1
Heat of Formation -2503.0 ± 16.7 kJ·mol−1
Dipole Moment 6.59 ± 1.08 D
Volume 500.71 Å 3
Surface Area 394.73 Å 2
HOMO Energy -9.18 ± 0.55 eV
LUMO Energy -1.22 ± eV
Point Group Symmetry C1
InChIKey VLOQDBLZKZHJPP-GQTRHBFLSA-O
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