9-[(2S,4Ar,6R,7R,7Ar)-2-Hydroxy-7-Methoxy-2-Oxo-4A,6,7,7A-Tetrahydro-4H-Furo[3,2-D][1,3,2]Dioxaphosphinin-6-Yl]-8-(4-Chlorophenyl)Sulfanyl-Purine-1,3,7-Triium-6-Amine

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Formula C17H19ClN5O6PS
IUPAC Name 9-[(2s,4ar,6r,7r,7ar)-2-hydroxy-7-methoxy-2-oxo-4a,6,7,7a-tetrahydro-4h-furo[3,2-d][1,3,2]dioxaphosphinin-6-yl]-8-(4-chlorophenyl)sulfanyl-purine-1,3,7-triium-6-amine
Molecular Mass 487.854 g·mol−1
Heat of Formation -918.7 ± 16.7 kJ·mol−1
Dipole Moment 3.29 ± 1.08 D
Volume 481.2 Å 3
Surface Area 373.38 Å 2
HOMO Energy -8.75 ± 0.55 eV
LUMO Energy -1.28 ± eV
Point Group Symmetry C1
InChIKey GIUFVHJIIRVEQD-XNIJJKJLSA-O
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