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

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Formula C12H17N6O7P
IUPAC Name (2s,4ar,6r,7r,7as)-6-[6-amino-8-(2-hydroxyethylamino)purine-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 388.273 g·mol−1
Heat of Formation -1197.0 ± 16.7 kJ·mol−1
Dipole Moment 4.06 ± 1.08 D
Volume 392.3 Å 3
Surface Area 349.3 Å 2
HOMO Energy -8.51 ± 0.55 eV
LUMO Energy -0.69 ± eV
Point Group Symmetry C1
Synonyms
  • (1s,6r,8r,9r)-8-[6-amino-8-(2-hydroxyethylamino)-9-purinyl]-3-hydroxy-3-oxo-2,4,7-trioxa-3$l^{5}-phosphabicyclo[4.3.0]nonan-9-ol
  • (1s,6r,8r,9r)-8-[6-amino-8-(2-hydroxyethylamino)purin-9-yl]-3-hydroxy-3-keto-2,4,7-trioxa-3$l^{5}-phosphabicyclo[4.3.0]nonan-9-ol
  • (1s,6r,8r,9r)-8-[6-amino-8-(2-hydroxyethylamino)purin-9-yl]-3-hydroxy-3-oxo-2,4,7-trioxa-3$l^{5}-phosphabicyclo[4.3.0]nonan-9-ol
  • 8-hydroxyethylamino-cyclic amp
  • 8-hydroxyethylaminoadenosine 3',5'-monophosphate
  • adenosine, 8-((2-hydroxyethyl)amino)-, cyclic 3',5'-(hydrogen phosphate)
CAS Number(s)
  • 33823-17-5
InChIKey YMSXKPONFXQTQW-IOSLPCCCSA-N
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