(9R)-1-[(2R,3S,4R,5R)-5-(6-Amino-9H-Purin-9-Yl)-4-Hydroxy-3-(Phosphonooxy)Tetrahydro-2-Furanyl]-3,5,9,21-Tetrahydroxy-8,8-Dimethyl-10,14,19-Trioxo-2,4,6-Trioxa-18-Thia-11,15-Diaza-3,5-Diphosphatricosan-23-Oic Acid 3,5-Dioxide

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Formula C26H17N7O20P3S+
IUPAC Name (9r)-1-[(2r,3s,4r,5r)-5-(6-amino-9h-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydro-2-furanyl]-3,5,9,21-tetrahydroxy-8,8-dimethyl-10,14,19-trioxo-2,4,6-trioxa-18-thia-11,15-diaza-3,5-diphosphatricosan-23-oic acid 3,5-dioxide
Molecular Mass 872.434 g·mol−1
Heat of Formation -1575.2 ± 16.7 kJ·mol−1
Dipole Moment 9.94 ± 1.08 D
Volume 807.01 Å 3
Surface Area 675.11 Å 2
HOMO Energy -8.71 ± 0.55 eV
LUMO Energy -2.37 ± eV
Point Group Symmetry C1
InChIKey IIYZSYKTQRIPRG-UHFFFAOYSA-N
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