[[[(2S,3R,4R,5R)-5-(2-Amino-6-Oxo-3H-Purine-1,7-Diium-4-Id-9-Yl)-3,4-Dihydroxy-Tetrahydrofuran-2-Yl]Methoxy-Hydroxy-Phosphoryl]Oxy-Hydroxy-Phosphoryl]Oxy-Dihydroxy-Sulfido-Phosphonium

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Properties Simple | Detailed

Formula C10H18N5O13P3S
IUPAC Name [[[(2s,3r,4r,5r)-5-(2-amino-6-oxo-3h-purine-1,7-diium-4-id-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl]oxy-hydroxy-phosphoryl]oxy-dihydroxy-sulfido-phosphonium
Molecular Mass 541.262 g·mol−1
Heat of Formation -3054.4 ± 16.7 kJ·mol−1
Dipole Moment 13.53 ± 1.08 D
Volume 501.63 Å 3
Surface Area 374.4 Å 2
HOMO Energy -8.79 ± 0.55 eV
LUMO Energy -1.69 ± eV
Point Group Symmetry C1
InChIKey ZBCDUAWBYSAQEZ-BZKDHIKHSA-P
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