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

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Properties Simple | Detailed

Formula C14H19N6O9P
IUPAC Name [[(2r,3s,4r,5r)-5-(6-aminopurine-1,3,7-triium-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl] 2-acetamidoacetate
Molecular Mass 446.309 g·mol−1
Heat of Formation -1696.2 ± 16.7 kJ·mol−1
Dipole Moment 7.30 ± 1.08 D
Volume 459.79 Å 3
Surface Area 362.18 Å 2
HOMO Energy -9.41 ± 0.55 eV
LUMO Energy -0.95 ± eV
Point Group Symmetry C1
InChIKey FSBAPPUTUQBFDA-FRJWGUMJSA-O
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