9-(2-Deoxy-5-O-Phosphono-4-Thio-D-Erythro-Pent-1-Enofuranosyl)-9H-Purin-6-Amine

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Properties Simple | Detailed

Formula C10H12N5O5PS
IUPAC Name [(2r,3s)-5-(6-aminopurine-1,3,7-triium-9-yl)-3-hydroxy-2,3-dihydrothiophen-2-yl]methyl dihydrogen phosphate
Molecular Mass 345.272 g·mol−1
Heat of Formation -844.8 ± 16.7 kJ·mol−1
Dipole Moment 2.22 ± 1.08 D
Volume 345.72 Å 3
Surface Area 314.46 Å 2
HOMO Energy -8.85 ± 0.55 eV
LUMO Energy -0.83 ± eV
Point Group Symmetry C1
Synonyms
  • 4'-thioadenosine-3',5'-cyclic phosphate
  • [(2r,3s)-5-(6-amino-9-purinyl)-3-hydroxy-2,3-dihydrothiophen-2-yl]methyl dihydrogen phosphate
  • [(2r,3s)-5-(6-aminopurin-9-yl)-3-hydroxy-2,3-dihydrothiophen-2-yl]methyl dihydrogen phosphate
  • adenosine, 4'-thio-, cyclic 3',5'-(hydrogen phosphate)
  • ta-cp
CAS Number(s)
  • 52342-56-0
InChIKey SEYQKYHSSUWBDU-NTSWFWBYSA-N
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