2-Amino-8-[(4-Chlorophenyl)Sulfanyl]-9-[(4Ar,6R,7R,7As)-2,7-Dihydroxy-2-Oxidotetrahydro-4H-Furo[3,2-D][1,3,2]Dioxaphosphinin-6-Yl]-3,9-Dihydro-6H-Purin-6-One

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Formula C16H15ClN5O7PS
IUPAC Name 9-[(2s,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-1h-purine-3,7-diium-6-one
Molecular Mass 487.811 g·mol−1
Heat of Formation -1217.6 ± 16.7 kJ·mol−1
Dipole Moment 7.04 ± 1.08 D
Volume 472.12 Å 3
Surface Area 362.06 Å 2
HOMO Energy -8.78 ± 0.55 eV
LUMO Energy 2.07 ± eV
Point Group Symmetry C1
InChIKey ZDJHIEHUVPCEDK-ORMVGFHCSA-N
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Elements C Cl H O N P S