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

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Properties Simple | Detailed

Formula C20H29N6O12P3
IUPAC Name [[(2r,3s,5r)-5-[6-amino-2-(4-butylanilino)purine-1,3,7-triium-9-yl]-3-hydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl] phosphono hydrogen phosphate
Molecular Mass 638.399 g·mol−1
Heat of Formation -2936.2 ± 16.7 kJ·mol−1
Dipole Moment 4.22 ± 1.08 D
Volume 655.41 Å 3
Surface Area 489.03 Å 2
HOMO Energy -8.58 ± 0.55 eV
LUMO Energy -1.50 ± eV
Point Group Symmetry C1
InChIKey MHDWSNHFBQZKPT-ARFHVFGLSA-O
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