9-[(2S,4Ar,6R,7R,7As)-2,7-Dihydroxy-2-Oxo-4A,6,7,7A-Tetrahydro-4H-Furo[3,2-D][1,3,2]Dioxaphosphinin-6-Yl]-2-Amino-8-(4-Chlorophenyl)Sulfanyl-3H-Purine-1,7-Diium-4-Id-6-One

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Formula C16H16ClN5O7PS
IUPAC Name 9-[(2s,4ar,6r,7r,7as)-2,7-dihydroxy-2-oxo-4a,6,7,7a-tetrahydro-4h-furo[3,2-d][1,3,2]dioxaphosphinin-6-yl]-2-amino-8-(4-chlorophenyl)sulfanyl-3h-purine-1,7-diium-4-id-6-one
Molecular Mass 488.819 g·mol−1
Heat of Formation -1087.2 ± 16.7 kJ·mol−1
Dipole Moment 8.40 ± 1.08 D
Volume 481.06 Å 3
Surface Area 386.0 Å 2
HOMO Energy -9.12 ± 0.55 eV
LUMO Energy -1.00 ± eV
Point Group Symmetry C1
InChIKey MTYVJCHUNZWCDI-IDTAVKCVSA-P
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