[(2S,4Ar,6R,7R,7Ar)-6-[6-(Butanoylamino)Purine-1,3,7-Triium-9-Yl]-2-Hydroxy-2-Oxo-4A,6,7,7A-Tetrahydro-4H-Furo[3,2-D][1,3,2]Dioxaphosphinin-7-Yl] Butanoate

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Formula C18H24N5O8P
IUPAC Name [(2s,4ar,6r,7r,7ar)-6-[6-(butanoylamino)purine-1,3,7-triium-9-yl]-2-hydroxy-2-oxo-4a,6,7,7a-tetrahydro-4h-furo[3,2-d][1,3,2]dioxaphosphinin-7-yl] butanoate
Molecular Mass 469.386 g·mol−1
Heat of Formation -1443.7 ± 16.7 kJ·mol−1
Dipole Moment 4.23 ± 1.08 D
Volume 508.17 Å 3
Surface Area 450.1 Å 2
HOMO Energy -9.25 ± 0.55 eV
LUMO Energy 2.25 ± eV
Point Group Symmetry C1
InChIKey XFUKLNMNFASASU-YVLZZHOMSA-O
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