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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Properties Simple | Detailed

Formula C16H16ClN5O7PS
IUPAC Name 9-[(2s,4ar,6r,7r,7as)-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 -1103.6 ± 16.7 kJ·mol−1
Dipole Moment 0.78 ± 1.08 D
Volume 472.95 Å 3
Surface Area 367.89 Å 2
HOMO Energy -8.82 ± 0.55 eV
LUMO Energy -1.00 ± eV
Point Group Symmetry C1
Synonyms
  • 2-amino-8-(4-chlorophenyl)sulfanyl-9-[(1s,6r,8r,9r)-3,9-dihydroxy-3-oxo-2,4,7-trioxa-3$l^{5}-phosphabicyclo[4.3.0]nonan-8-yl]-3h-purin-6-one
  • 2-amino-8-[(4-chlorophenyl)thio]-9-[(1s,6r,8r,9r)-3,9-dihydroxy-3-keto-2,4,7-trioxa-3$l^{5}-phosphabicyclo[4.3.0]nonan-8-yl]-3h-purin-6-one
  • 2-amino-8-[(4-chlorophenyl)thio]-9-[(1s,6r,8r,9r)-3,9-dihydroxy-3-oxo-2,4,7-trioxa-3$l^{5}-phosphabicyclo[4.3.0]nonan-8-yl]-3h-purin-6-one
  • 8-((4-chlorophenyl)thio)cyclic-3',5'-gmp
  • 8-(4-chlorophenylthio)guanosine-3'-5'-cyclic monophosphate
  • 8-(p-chlorophenylthio)cyclic gmp
  • guanosine, 8-((4-chlorophenyl)thio)-, cyclic 3',5'-(hydrogen phosphate)
CAS Number(s)
  • 54364-02-2
InChIKey ZDJHIEHUVPCEDK-IDTAVKCVSA-N
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