(4Ar,6R,7R,7As)-6-(6,8-Diamino-9H-Purin-9-Yl)Tetrahydro-4H-Furo[3,2-D][1,3,2]Dioxaphosphinine-2,7-Diol 2-Oxide

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Properties Simple | Detailed

Formula C10H13N6O6P
IUPAC Name (2s,4ar,6r,7r,7as)-6-(6,8-diaminopurine-1,3,7-triium-9-yl)-2-hydroxy-2-oxo-4a,6,7,7a-tetrahydro-4h-furo[3,2-d][1,3,2]dioxaphosphinin-7-ol
Molecular Mass 344.221 g·mol−1
Heat of Formation -994.6 ± 16.7 kJ·mol−1
Dipole Moment 3.92 ± 1.08 D
Volume 339.1 Å 3
Surface Area 297.44 Å 2
HOMO Energy -8.61 ± 0.55 eV
LUMO Energy -0.74 ± eV
Point Group Symmetry C1
Synonyms
  • (1s,6r,8r,9r)-8-(6,8-diamino-9-purinyl)-3-hydroxy-3-oxo-2,4,7-trioxa-3$l^{5}-phosphabicyclo[4.3.0]nonan-9-ol
  • (1s,6r,8r,9r)-8-(6,8-diaminopurin-9-yl)-3-hydroxy-3-keto-2,4,7-trioxa-3$l^{5}-phosphabicyclo[4.3.0]nonan-9-ol
  • (1s,6r,8r,9r)-8-(6,8-diaminopurin-9-yl)-3-hydroxy-3-oxo-2,4,7-trioxa-3$l^{5}-phosphabicyclo[4.3.0]nonan-9-ol
  • 8-amino-cyclic amp
  • 8-aminoadenosine 3',5'-monophosphate
  • adenosine, 8-amino-, cyclic 3',5'-(hydrogen phosphate)
CAS Number(s)
  • 30685-40-6
InChIKey XKAQQTTUGGGUIZ-UUOKFMHZSA-N
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