[(2R,3S,4R,5R)-5-(6-Aminopurine-1,3,7-Triium-9-Yl)-3,4-Dihydroxy-Tetrahydrofuran-2-Yl]Methoxy-[[[[(2R,3S,4R,5R)-5-(6-Aminopurine-1,3,7-Triium-9-Yl)-3,4-Dihydroxy-Tetrahydrofuran-2-Yl]Methoxy-Sulfanyl-Phosphoryl]Oxy-Hydroxy-Phosphoryl]Methyl]Phosphinic Acid

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Formula C21H29N10O14P3S
IUPAC Name [(2r,3s,4r,5r)-5-(6-aminopurine-1,3,7-triium-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-[[[[(2r,3s,4r,5r)-5-(6-aminopurine-1,3,7-triium-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-sulfanyl-phosphoryl]oxy-hydroxy-phosphoryl]methyl]phosphinic acid
Molecular Mass 770.500 g·mol−1
Heat of Formation -2731.6 ± 16.7 kJ·mol−1
Dipole Moment 1.92 ± 1.08 D
Volume 768.08 Å 3
Surface Area 617.03 Å 2
HOMO Energy -9.09 ± 0.55 eV
LUMO Energy -1.13 ± eV
Point Group Symmetry C1
InChIKey VFFDKQSAXWLXRR-LCHUORCTSA-P
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