5'-O-[(Dithiophosphono)]Adenosine

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Properties Simple | Detailed

Formula C10H14N5O5PS2
IUPAC Name (2r,3r,4s,5r)-2-(6-aminopurine-1,3,7-triium-9-yl)-5-[bis(sulfanyl)phosphoryloxymethyl]tetrahydrofuran-3,4-diol
Molecular Mass 379.352 g·mol−1
Heat of Formation -788.4 ± 16.7 kJ·mol−1
Dipole Moment 1.87 ± 1.08 D
Volume 392.66 Å 3
Surface Area 331.53 Å 2
HOMO Energy -9.17 ± 0.55 eV
LUMO Energy 2.12 ± eV
Point Group Symmetry C1
Synonyms
  • (2r,3r,4s,5r)-2-(6-amino-9-purinyl)-5-[(hydroxy-mercaptophosphinothioyl)oxymethyl]tetrahydrofuran-3,4-diol
  • (2r,3r,4s,5r)-2-(6-aminopurin-9-yl)-5-[(hydroxy-mercapto-thiophosphoryl)oxymethyl]tetrahydrofuran-3,4-diol
  • (2r,3r,4s,5r)-2-(6-aminopurin-9-yl)-5-[(hydroxy-sulfanyl-phosphinothioyl)oxymethyl]oxolane-3,4-diol
  • (2r,3r,4s,5r)-2-(6-aminopurin-9-yl)-5-[(hydroxy-sulfanyl-phosphinothioyl)oxymethyl]tetrahydrofuran-3,4-diol
InChIKey RPDDEEQJNPPYRG-KQYNXXCUSA-N
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