2'-Deoxy-5'-O-Thiophosphonoadenosine

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Formula C10H14N5O5PS
IUPAC Name [(2r,3s,5r)-5-(6-aminopurine-1,3,7-triium-9-yl)-3-hydroxy-tetrahydrofuran-2-yl]methoxy-dihydroxy-sulfido-phosphonium
Molecular Mass 347.287 g·mol−1
Heat of Formation -963.9 ± 16.7 kJ·mol−1
Dipole Moment 4.24 ± 1.08 D
Volume 352.27 Å 3
Surface Area 282.16 Å 2
HOMO Energy -8.79 ± 0.55 eV
LUMO Energy -0.84 ± eV
Point Group Symmetry C1
Synonyms
  • (2r,3s,5r)-5-(6-amino-9-purinyl)-2-(dihydroxyphosphinothioyloxymethyl)-3-tetrahydrofuranol
  • (2r,3s,5r)-5-(6-aminopurin-9-yl)-2-(dihydroxyphosphinothioyloxymethyl)tetrahydrofuran-3-ol
  • (2r,3s,5r)-5-(6-aminopurin-9-yl)-2-(dihydroxythiophosphoryloxymethyl)tetrahydrofuran-3-ol
InChIKey ULJYSQHUKIZEGB-RRKCRQDMSA-N
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