9-[(2R,4Ar,6S,7S,7Ar)-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-[(2r,4ar,6s,7s,7ar)-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 -1070.9 ± 16.7 kJ·mol−1
Dipole Moment 9.90 ± 1.08 D
Volume 483.11 Å 3
Surface Area 410.7 Å 2
HOMO Energy -8.70 ± 0.55 eV
LUMO Energy -1.35 ± eV
Point Group Symmetry C1
InChIKey MTYVJCHUNZWCDI-ORMVGFHCSA-P
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