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

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Properties Simple | Detailed

Formula C12H12N5O6P
IUPAC Name (2s,4ar,6r,7r,7as)-2-hydroxy-2-oxo-6-(2,5,7,8-tetrahydroimidazo[2,1-f]purine-1,2,3a,4,5,7,8,9,9a,9b-decaid-3-yl)-4a,6,7,7a-tetrahydro-4h-furo[3,2-d][1,3,2]dioxaphosphinin-7-ol
Molecular Mass 353.227 g·mol−1
Heat of Formation -837.4 ± 16.7 kJ·mol−1
Dipole Moment 2.90 ± 1.08 D
Volume 349.81 Å 3
Surface Area 309.07 Å 2
HOMO Energy -9.20 ± 0.55 eV
LUMO Energy -1.47 ± eV
Point Group Symmetry C1
Synonyms
  • (1s,6r,8r,9r)-3-hydroxy-8-(3-imidazo[2,1-f]purinyl)-3-oxo-2,4,7-trioxa-3$l^{5}-phosphabicyclo[4.3.0]nonan-9-ol
  • (1s,6r,8r,9r)-3-hydroxy-8-imidazo[2,1-f]purin-3-yl-3-keto-2,4,7-trioxa-3$l^{5}-phosphabicyclo[4.3.0]nonan-9-ol
  • (1s,6r,8r,9r)-3-hydroxy-8-imidazo[2,1-f]purin-3-yl-3-oxo-2,4,7-trioxa-3$l^{5}-phosphabicyclo[4.3.0]nonan-9-ol
  • 1,n(6)-etheno-camp
  • 1,n(6)-ethenoadenosine 3',5'-monophosphate
  • 1,n(6)-ethenoadenosine3',5'-cyclic monophosphate
  • 3-(3,5-o-phosphinico-beta-d-ribofuranosyl)-3h-imidazo(2,1-i) purine
  • etheno-cyclic amp
CAS Number(s)
  • 38806-37-0
InChIKey YQXDYNIFOXNXEP-WOUKDFQISA-N
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